6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one

C16H13ClN2O2 — CID 115937318

IUPAC6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cccc(C(=O)c2ccc3c(c2)CCC(=O)N3)c1Cl
InChIInChI=1S/C16H13ClN2O2/c17-15-11(2-1-3-12(15)18)16(21)10-4-6-13-9(8-10)5-7-14(20)19-13/h1-4,6,8H,5,7,18H2,(H,19,20)
InChIKeyZLGYYOGSZWBWJQ-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.04
Rot. Bonds2

About 6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one

6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 115937318) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID115937318
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cccc(C(=O)c2ccc3c(c2)CCC(=O)N3)c1Cl
InChIInChI=1S/C16H13ClN2O2/c17-15-11(2-1-3-12(15)18)16(21)10-4-6-13-9(8-10)5-7-14(20)19-13/h1-4,6,8H,5,7,18H2,(H,19,20)
InChIKeyZLGYYOGSZWBWJQ-UHFFFAOYSA-N
XLogP3.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,6-dichlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160665
6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 107949673
6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 107979594
6-(5-fluoro-2-methylbenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 63049807
5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one
CID 43160594
6-[2-(2,3-dichlorophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 51183735
N-(2-carbamoylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761862
6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 70502328
6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915356
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
6-amino-5-chloro-3,4-dihydro-1H-quinolin-2-one
CID 117209542
N-[(3-chlorophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911732

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one (CID 115937318) is 6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one is Nc1cccc(C(=O)c2ccc3c(c2)CCC(=O)N3)c1Cl.
What is the InChIKey of 6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZLGYYOGSZWBWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-15-11(2-1-3-12(15)18)16(21)10-4-6-13-9(8-10)5-7-14(20)19-13/h1-4,6,8H,5,7,18H2,(H,19,20).
What are the key properties of 6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one?
6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 300.75 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 115937318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).