2-(Chloromethyl)-4(3H)-quinazolinone - CAS 3817-05-8

Catalog:	BB023557
Product Name:	2-(Chloromethyl)-4(3H)-quinazolinone
CAS:	3817-05-8
Synonyms:	2-(chloromethyl)-3H-quinazolin-4-one

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Computed Properties

IUPAC Name:	2-(chloromethyl)-3H-quinazolin-4-one
Description:	2-(Chloromethyl)-4(3H)-quinazolinone (CAS# 3817-05-8) is a useful research chemical.
Molecular Weight:	194.62
Molecular Formula:	C9H7ClN2O
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)NC(=N2)CCl
InChI:	InChI=1S/C9H7ClN2O/c10-5-8-11-7-4-2-1-3-6(7)9(13)12-8/h1-4H,5H2,(H,11,12,13)
InChI Key:	KSLWZHWJFFDMMK-UHFFFAOYSA-N
Boiling Point:	340.7 °C at 760 mmHg
Density:	1.42 g/cm³
Appearance:	White to gray powder or crystals
MDL:	MFCD01927196
LogP:	1.66190

Publication Number	Title	Priority Date
WO-2021198188-A1	Quinazolinone derivatives and uses thereof for treating a cancer	20200330
CN-112004845-A	Resin composition, laminate, semiconductor wafer with resin composition layer, substrate for mounting semiconductor with resin composition layer, and semiconductor device	20180426
CN-106045922-A	2-(Amino) methylquinazolin-4(3H)-one compound and preparation method and application thereof	20160612
CN-107226807-A	Tankyrase inhibitor	20160323
CN-107226807-B	Tankyrase inhibitors	20160323

PMID	Publication Date	Title	Journal
21178902	20101222	A general synthetic procedure for 2-chloromethyl-4(3H)-quinazolinone derivatives and their utilization in the preparation of novel anticancer agents with 4-anilinoquinazoline scaffolds	Molecules (Basel, Switzerland)

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, and P501
Signal Word:	Warning

Complexity:	252
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.0246905
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	194.0246905
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3