4-Chloro-7-methoxyquinazoline - CAS 55496-52-1

Catalog:	BB029057
Product Name:	4-Chloro-7-methoxyquinazoline
CAS:	55496-52-1
Synonyms:	4-chloro-7-methoxyquinazoline; 4-chloro-7-methoxyquinazoline

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Computed Properties

IUPAC Name:	4-chloro-7-methoxyquinazoline
Description:	4-Chloro-7-methoxyquinazoline (CAS# 55496-52-1) is a useful research chemical compound.
Molecular Weight:	194.62
Molecular Formula:	C9H7ClN2O
Canonical SMILES:	COC1=CC2=C(C=C1)C(=NC=N2)Cl
InChI:	InChI=1S/C9H7ClN2O/c1-13-6-2-3-7-8(4-6)11-5-12-9(7)10/h2-5H,1H3
InChI Key:	GUQZHZBMDPEBQG-UHFFFAOYSA-N
Boiling Point:	323 °C at 760 mmHg
Density:	1.333 g/cm³
LogP:	2.29180

Publication Number	Title	Priority Date
US-2021171543-A1	Mcl1 inhibitors	20191112
WO-2021096860-A1	Mcl1 inhibitors	20191112
WO-2021023888-A1	Isoquinoline derivatives as protein kinase inhibitors	20190808
US-2020352942-A1	Dosage forms and regimens for amino acid compounds	20190408
WO-2020210404-A1	Dosage forms and regimens for amino acid compounds	20190408

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	179
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:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.0246905
Rotatable Bond Count:	1
Topological Polar Surface Area:	35 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5