3-Amino-2-phenyl-4(3H)-quinazolinone - CAS 1904-60-5

Catalog:	BB014722
Product Name:	3-Amino-2-phenyl-4(3H)-quinazolinone
CAS:	1904-60-5
Synonyms:	3-amino-2-phenylquinazolin-4-one

Technical Data

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Computed Properties

IUPAC Name:	3-amino-2-phenylquinazolin-4-one
Description:	3-Amino-2-phenyl-4(3H)-quinazolinone (CAS# 1904-60-5) is a useful research chemical compound.
Molecular Weight:	237.26
Molecular Formula:	C14H11N3O
Canonical SMILES:	C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N
InChI:	InChI=1S/C14H11N3O/c15-17-13(10-6-2-1-3-7-10)16-12-9-5-4-8-11(12)14(17)18/h1-9H,15H2
InChI Key:	YKBACEIGOHYXAC-UHFFFAOYSA-N
Boiling Point:	434.5 °C at 760 mmHg
Density:	1.3 g/cm³
Solubility:	>35.6 [ug/mL] (The mean of the results at pH 7.4)
MDL:	MFCD00447207
LogP:	2.35850

Publication Number	Title	Priority Date
US-2010305109-A1	Potassium channel modulators	20090529
US-8962639-B2	Potassium channel modulators	20090529
WO-2010138828-A2	Potassium channel modulators	20090529
US-2009035306-A1	Quinazolinone modulators of tgr5	20061129
AU-2003268735-A1	Quinazolin-4-one derivatives	20021003

PMID	Publication Date	Title	Journal
21796872	20110601	Synthesis, antiviral and cytotoxic investigation of 2-phenyl-3-substituted quinazolin-4(3H)-ones	European review for medical and pharmacological sciences
20235747	20100801	Synthesis and antileishmanial and antimicrobial activities of some 2,3-disubstituted 3H-quinazolin-4-ones	Journal of enzyme inhibition and medicinal chemistry
20494587	20100615	Identification of novel quinazolin-4(3H)-ones as inhibitors of thermolysin, the prototype of the M4 family of proteinases	Bioorganic & medicinal chemistry
12061252	20020501	Synthesis and pharmacological investigation of some novel 2-phenyl-3-(substituted methyl amino) quinazolin-4(3H)-ones as H1-receptor blockers	Die Pharmazie
11991152	20020101	Synthesis and antiviral evaluation of some new glycosylthioureas containing a quinazolinone nucleus	Nucleosides, nucleotides & nucleic acids

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Related Functional Groups

Quinazolines

[20197-97-1]
2-Chloro-6-methoxyquinazolin-4(3H)-one
[2891993-38-5]
7-Bromo-2,4,6-trichloro-5,8-difluoroquinazoline
[267243-68-5]
Intermediate 2 of Canertinib
[20198-18-9]
2-Amino-7-chloro-3H-quinazolin-4-one
[1172851-61-4]
4-Chloro-6-iodo-7-methoxyquinazoline
[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:	360
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	237.090211983
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	237.090211983
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8