Ethyl Quinazoline-2-carboxylate - CAS 869299-42-3

Catalog:	BB038124
Product Name:	Ethyl Quinazoline-2-carboxylate
CAS:	869299-42-3
Synonyms:	2-quinazolinecarboxylic acid ethyl ester; ethyl quinazoline-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl quinazoline-2-carboxylate
Description:	Ethyl Quinazoline-2-carboxylate (CAS# 869299-42-3) is a useful research chemical.
Molecular Weight:	202.21
Molecular Formula:	C11H10N2O2
Canonical SMILES:	CCOC(=O)C1=NC2=CC=CC=C2C=N1
InChI:	InChI=1S/C11H10N2O2/c1-2-15-11(14)10-12-7-8-5-3-4-6-9(8)13-10/h3-7H,2H2,1H3
InChI Key:	QFABTMLXPTVXSX-UHFFFAOYSA-N
Boiling Point:	359.4 °C at 760 mmHg
Density:	1.23 g/cm³
LogP:	1.80650

Publication Number	Title	Priority Date
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
CN-109641886-A	Bicyclic BET Bu Luomo structural domain inhibitor and application thereof	20151125

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Complexity:	233
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.074227566
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	202.074227566
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2