2-Amino-3H-quinazolin-4-one - CAS 20198-19-0

Catalog:	BB015710
Product Name:	2-Amino-3H-quinazolin-4-one
CAS:	20198-19-0
Synonyms:	2-amino-3H-quinazolin-4-one; 2-amino-3H-quinazolin-4-one

Technical Data

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Patents

Literatures

Computed Properties

IUPAC Name:	2-amino-3H-quinazolin-4-one
Description:	2-Amino-3H-quinazolin-4-one (CAS# 20198-19-0) is a useful research chemical.
Molecular Weight:	161.16
Molecular Formula:	C8H7N3O
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)NC(=N2)N
InChI:	InChI=1S/C8H7N3O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H,(H3,9,10,11,12)
InChI Key:	SDTFBAXSPXZDKC-UHFFFAOYSA-N
Boiling Point:	358.8 °C at 760 mmHg
Density:	1.49 g/cm³
LogP:	1.08650

Publication Number	Title	Priority Date
WO-2021039968-A1	2-aminoquinazolinone derivative	20190830
WO-2020255039-A1	Combination of hepatitis b virus (hbv) vaccines and quinazoline derivatives	20190618
CN-109686990-B	Preparation method and application of Ni-Zn/nitrogen-sulfur double-doped three-dimensional graphene electrode material	20190129
WO-2020021064-A1	Substituted quinazolinone derivatives and their use as positive allosteric modulators of mglur4	20180726
AU-2019309448-A1	Substituted quinazolinone derivatives and their use as positive allosteric modulators of mGluR4	20180726

PMID	Publication Date	Title	Journal
21812044	20110905	Bifunctional hydrogen-bond donors that bear a quinazoline or benzothiadiazine skeleton for asymmetric organocatalysis	Chemistry (Weinheim an der Bergstrasse, Germany)
16283801	20051101	Solid-phase synthesis of 2-aminoquinazolinone derivatives with two- and three-point diversity	Journal of combinatorial chemistry

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Related Functional Groups

Quinazolines

[19062-39-6]
4(3H)-Quinazolinone, 3-amino-2-hydrazino-
[959236-83-0]
8-(Trifluoromethoxy)quinazoline-2,4(1H,3H)-dione
[202475-65-8]
N-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
[333785-55-0]
3-(2-Furylmethyl)-2-mercaptoquinazolin-4(3H)-one
[21599-37-1]
2-Amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
[67092-21-1]
2,5,6-Trichloroquinazoline

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:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.058911855
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	161.058911855
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1