Methyl 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylate - CAS 2095209-25-7

Catalog:	BB059769
Product Name:	Methyl 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylate
CAS:	2095209-25-7
Synonyms:	methyl 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylate; methyl 2H,3H,4H-pyrido[3,2-b][1,4]oxazine-7-carboxylate

Technical Data

IUPAC Name:	methyl 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylate
Description:	Methyl 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylate is a useful intermediate in the synthesis of heterocyclic [b]pyridone compounds useful in the treatment of cancer.
Molecular Weight:	194.19
Molecular Formula:	C9H10N2O3
Canonical SMILES:	COC(=O)C1=CC2=C(NCCO2)N=C1
InChI:	InChI=1S/C9H10N2O3/c1-13-9(12)6-4-7-8(11-5-6)10-2-3-14-7/h4-5H,2-3H2,1H3,(H,10,11)
InChI Key:	KAKMFUIWLBERLV-UHFFFAOYSA-N
References:	Cheng, J., et al. From PCT Int. Appl. (2012), WO 2012167600 A1 20121213.

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.06914219
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	194.06914219
Rotatable Bond Count:	2
Topological Polar Surface Area:	60.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8