Ethyl 4-quinazolone-2-carboxylate - CAS 29113-33-5

Catalog:	BB020098
Product Name:	Ethyl 4-quinazolone-2-carboxylate
CAS:	29113-33-5
Synonyms:	ethyl 4-oxo-3H-quinazoline-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 4-oxo-3H-quinazoline-2-carboxylate
Description:	Ethyl 4-quinazolone-2-carboxylate (CAS# 29113-33-5) is a useful research chemical.
Molecular Weight:	218.21
Molecular Formula:	C11H10N2O3
Canonical SMILES:	CCOC(=O)C1=NC2=CC=CC=C2C(=O)N1
InChI:	InChI=1S/C11H10N2O3/c1-2-16-11(15)9-12-8-6-4-3-5-7(8)10(14)13-9/h3-6H,2H2,1H3,(H,12,13,14)
InChI Key:	BMCAWNQKVVTNFP-UHFFFAOYSA-N
Boiling Point:	363.7 °C at 760 mmHg
Density:	1.34 g/cm³
Solubility:	>32.7 [ug/mL] (The mean of the results at pH 7.4)
Appearance:	White powder
MDL:	MFCD00051583
LogP:	1.09980

Publication Number	Title	Priority Date
CN-112390782-A	Compound for specifically enhancing spatial coupling degree of TRPV4-KCa2.3 complex and application thereof	20201109
EP-3556747-A1	Compound for enhancing coupling of trpv4-kca2.3 complex and antihypertensive applications of compound	20170407
US-10336712-B2	Compound for enhancing the coupling degree of complex TRPV4-KCa2.3 and anti-hypertension applications thereof	20170407
US-2019077769-A1	Compound for Enhancing the Coupling Degree of Complex TRPV4- KCa2.3 and Anti-hypertension Applications thereof	20170407
EP-3556747-B1	Compound for enhancing the coupling degree of complex trpv4-kca2.3 ^and anti-hypertension applications thereof	20170407

PMID	Publication Date	Title	Journal
17637970	20070807	Total synthesis of luotonin A and 14-substituted analogues	Organic & biomolecular chemistry

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Related Functional Groups

Carbonyl Compounds

[55441-25-3]
1-(2-Cyanophenyl)urea
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[108397-75-7]
2,4,6-Trimethylpyrimidine-5-carboxylic Acid

Quinazolines

[20197-97-1]
2-Chloro-6-methoxyquinazolin-4(3H)-one
[202475-65-8]
N-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
[37793-53-6]
N10-(Trifluoroacetyl)pteroic acid
[58421-80-0]
4-Chloro-8-methylquinazoline
[19815-16-8]
4-Chloro-6-nitroquinazoline
[79754-04-4]
6,7-Dimethoxyquinazolin-2(1H)-one

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	338
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.06914219
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	218.06914219
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3