Methyl 4-Chloroquinazoline-7-carboxylate - CAS 183322-47-6

Catalog:	BB014050
Product Name:	Methyl 4-Chloroquinazoline-7-carboxylate
CAS:	183322-47-6
Synonyms:	4-chloro-7-quinazolinecarboxylic acid methyl ester; methyl 4-chloroquinazoline-7-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 4-chloroquinazoline-7-carboxylate
Description:	Methyl 4-Chloroquinazoline-7-carboxylate (CAS# 183322-47-6) is a useful research chemical.
Molecular Weight:	222.63
Molecular Formula:	C10H7ClN2O2
Canonical SMILES:	COC(=O)C1=CC2=C(C=C1)C(=NC=N2)Cl
InChI:	InChI=1S/C10H7ClN2O2/c1-15-10(14)6-2-3-7-8(4-6)12-5-13-9(7)11/h2-5H,1H3
InChI Key:	BYHDRGRVVXBJIP-UHFFFAOYSA-N
Boiling Point:	355.5 °C at 760 mmHg
Density:	1.392 g/cm³
LogP:	2.06980

Publication Number	Title	Priority Date
WO-2019170543-A1	Identification and use of erk5 inhibitors	20180307
AU-2019232437-A1	Identification and use of ERK5 inhibitors	20180307
EP-3762379-A1	Identification and use of erk5 inhibitors	20180307
US-2021017174-A1	Identification and use of erk5 inhibitor	20180307
JP-2021515767-A	Identification and use of ERK5 inhibitors	20180307

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.0196052
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	222.0196052
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4