CAS 578-96-1 | 11H-pyrido(2,1-b)quinazolin-11-one | CAS Number 578-96-1

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578-96-1 | 11H-pyrido(2,1-b)quinazolin-11-one

CAS No: 578-96-1 Catalog No: AG00EGPJ MDL No:MFCD00213337

Product Description

Catalog Number:

AG00EGPJ

Chemical Name:

11H-pyrido(2,1-b)quinazolin-11-one

CAS Number:

578-96-1

Molecular Formula:

C12H8N2O

Molecular Weight:

196.2047

MDL Number:

MFCD00213337

IUPAC Name:

pyrido[2,1-b]quinazolin-11-one

InChI:

InChI=1S/C12H8N2O/c15-12-9-5-1-2-6-10(9)13-11-7-3-4-8-14(11)12/h1-8H

InChI Key:

MONJTOUXCWKOFS-UHFFFAOYSA-N

SMILES:

O=c1c2ccccc2nc2n1cccc2

Properties

Complexity:

381

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

196.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

196.209g/mol

Monoisotopic Mass:

196.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

32.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Novel indoleamine 2,3-dioxygenase-1 inhibitors from a multistep in silico screen.	Bioorganic & medicinal chemistry 20120201
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501