Quinazoline-2-carboxylic Acid - CAS 568630-14-8

Catalog:	BB029516
Product Name:	Quinazoline-2-carboxylic Acid
CAS:	568630-14-8
Synonyms:	2-quinazolinecarboxylic acid; quinazoline-2-carboxylic acid

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Computed Properties

IUPAC Name:	quinazoline-2-carboxylic acid
Description:	Quinazoline-2-carboxylic Acid (CAS# 568630-14-8 ) is a useful research chemical.
Molecular Weight:	174.16
Molecular Formula:	C9H6N2O2
Canonical SMILES:	C1=CC=C2C(=C1)C=NC(=N2)C(=O)O
InChI:	InChI=1S/C9H6N2O2/c12-9(13)8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)
InChI Key:	OKXPYKHKJCATPX-UHFFFAOYSA-N
Boiling Point:	441.877 °C at 760 mmHg
Density:	1.421 g/cm³
LogP:	1.32800

Publication Number	Title	Priority Date
CN-112125890-A	Isoindolinone-based quinazoline-based carboxylic ester derivative and application thereof	20200925
CN-112778311-A	Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof	20191101
CN-110194761-B	Quinazoline carboxylic ester derivative and antibacterial application thereof	20190705
CN-110105291-A	4- substitution -2- formamide quinazoline compounds and its preparation method and application	20190612
WO-2020221239-A1	Oxaazaquinazoline-7(8h)-ketone compound, preparation method therfor and pharmaceutical application thereof	20190428

PMID	Publication Date	Title	Journal
21837620	20111001	Metabolites of lorazepam: Relevance of past findings to present day use of LC-MS/MS in analytical toxicology	Drug testing and analysis

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Complexity:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.042927438
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	174.042927438
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5