4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one

C17H16ClNO — CID 3765009

IUPAC4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1C)C(c1cccc(Cl)c1)CC(=O)N2
InChIInChI=1S/C17H16ClNO/c1-10-6-15-14(12-4-3-5-13(18)8-12)9-17(20)19-16(15)7-11(10)2/h3-8,14H,9H2,1-2H3,(H,19,20)
InChIKeyKKUIPORDNAXAJC-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.43
Rot. Bonds1

About 4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one

4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3765009) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID3765009
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1C)C(c1cccc(Cl)c1)CC(=O)N2
InChIInChI=1S/C17H16ClNO/c1-10-6-15-14(12-4-3-5-13(18)8-12)9-17(20)19-16(15)7-11(10)2/h3-8,14H,9H2,1-2H3,(H,19,20)
InChIKeyKKUIPORDNAXAJC-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(3-chlorophenyl)-6,7-dimethyl-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

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one (CID 3765009) is 4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one is Cc1cc2c(cc1C)C(c1cccc(Cl)c1)CC(=O)N2.
What is the InChIKey of 4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KKUIPORDNAXAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-10-6-15-14(12-4-3-5-13(18)8-12)9-17(20)19-16(15)7-11(10)2/h3-8,14H,9H2,1-2H3,(H,19,20).
What are the key properties of 4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 285.77 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3765009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).