3,4-Dihydro-3-methyl-2(1H)-quinazolinone - CAS 24365-65-9

Catalog:	BB018435
Product Name:	3,4-Dihydro-3-methyl-2(1H)-quinazolinone
CAS:	24365-65-9
Synonyms:	3-methyl-1,4-dihydroquinazolin-2-one

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	3-methyl-1,4-dihydroquinazolin-2-one
Description:	3,4-Dihydro-3-methyl-2(1H)-quinazolinone (CAS# 24365-65-9) is a useful research chemical.
Molecular Weight:	162.19
Molecular Formula:	C9H10N2O
Canonical SMILES:	CN1CC2=CC=CC=C2NC1=O
InChI:	InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)
InChI Key:	GINUUQLRYXHAPB-UHFFFAOYSA-N
Boiling Point:	366 °C at 760 mmHg
Melting Point:	200-203 °C (lit.)
Purity:	95 %
Density:	1.159 g/cm³
MDL:	MFCD00192043
LogP:	1.73980

Publication Number	Title	Priority Date
WO-2021151062-A1	Heterocyclic compounds and uses thereof	20200124
AU-2018344001-A1	Immunogenic composition for the treatment of cancer	20170929
CN-111182917-A	Immunogenic compositions for the treatment of cancer	20170929
WO-2019063829-A1	IMMUNOGENIC COMPOSITION FOR THE TREATMENT OF CANCER	20170929
EP-3687568-A1	Immunogenic composition for the treatment of cancer	20170929

PMID	Publication Date	Title	Journal
23095041	20121126	Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit	Journal of medicinal chemistry
22136404	20120126	Fragment-based discovery of bromodomain inhibitors part 1: inhibitor binding modes and implications for lead discovery	Journal of medicinal 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
[37793-53-6]
N10-(Trifluoroacetyl)pteroic acid
[103884-20-4]
2,5-Diamino-6-nitroquinazolin-4(3H)-one
[181871-83-0]
2-Amino-5-bromoquinazoline
[27631-29-4]
2,4-Dichloro-6,7-dimethoxyquinazoline

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.079312947
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	162.079312947
Rotatable Bond Count:	0
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7