7-(3,4-Dimethoxyphenyl)quinoxalin-2-amine - CAS 1250968-64-9

Catalog:	BB006064
Product Name:	7-(3,4-Dimethoxyphenyl)quinoxalin-2-amine
CAS:	1250968-64-9
Synonyms:	7-(3,4-dimethoxyphenyl)-2-quinoxalinamine; 7-(3,4-dimethoxyphenyl)quinoxalin-2-amine

Technical Data

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Computed Properties

IUPAC Name:	7-(3,4-dimethoxyphenyl)quinoxalin-2-amine
Description:	7-(3,4-Dimethoxyphenyl)quinoxalin-2-amine (CAS# 1250968-64-9 ) is a useful research chemical.
Molecular Weight:	281.31
Molecular Formula:	C16H15N3O2
Canonical SMILES:	COC1=C(C=C(C=C1)C2=CC3=NC(=CN=C3C=C2)N)OC
InChI:	InChI=1S/C16H15N3O2/c1-20-14-6-4-11(8-15(14)21-2)10-3-5-12-13(7-10)19-16(17)9-18-12/h3-9H,1-2H3,(H2,17,19)
InChI Key:	BNXCWDWGTYVBIT-UHFFFAOYSA-N
LogP:	3.47740

Publication Number	Title	Priority Date
AU-2010233983-A1	Quinoxaline derivatives and their use for treating benign and malignant tumour disorders	20090402
CA-2757138-A1	Quinoxaline derivatives and their use for treating benign and malignant tumour disorders	20090402
EP-2241557-A1	Chinoxalin derivatives and use thereof for treating malignant and benign tumour illnesses	20090402
EP-2419411-A1	Quinoxaline derivatives and their use for treating benign and malignant tumour disorders	20090402
JP-2012522741-A	Quinoxaline derivatives and their use for the treatment of benign and malignant tumor diseases	20090402

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Complexity:	342
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	281.11642673
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	281.11642673
Rotatable Bond Count:	3
Topological Polar Surface Area:	70.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4