CAS 4624-77-5 | 1-Benzoyloctahydro-4(1H)-quinolinone | CAS Number 4624-77-5

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4624-77-5 | 1-Benzoyloctahydro-4(1H)-quinolinone

CAS No: 4624-77-5 Catalog No: AG00J9OX MDL No:MFCD02233165

Product Description

Catalog Number:

AG00J9OX

Chemical Name:

1-Benzoyloctahydro-4(1H)-quinolinone

CAS Number:

4624-77-5

Molecular Formula:

C16H19NO2

Molecular Weight:

257.3276

MDL Number:

MFCD02233165

IUPAC Name:

1-benzoyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one

InChI:

InChI=1S/C16H19NO2/c18-15-10-11-17(14-9-5-4-8-13(14)15)16(19)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2

InChI Key:

HARZRCTWABIBKX-UHFFFAOYSA-N

SMILES:

O=C1CCN(C2C1CCCC2)C(=O)c1ccccc1

Properties

Complexity:

360

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.333g/mol

Monoisotopic Mass:

257.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
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