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

C17H16ClNO — CID 673218

IUPAC(4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1C)[C@H](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)/t14-/m0/s1
InChIKeyKKUIPORDNAXAJC-AWEZNQCLSA-N
MW285.77 g/mol
LogP4.43
Rot. Bonds1

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

(4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 673218) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is (4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID673218
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name(4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1C)[C@H](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)/t14-/m0/s1
InChIKeyKKUIPORDNAXAJC-AWEZNQCLSA-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

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Related Compounds

9-(3-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 3158473
6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 2916903
(4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 40645363
(4S)-4-(3-chlorophenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789587
7-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 105499107
4-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3158483
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
(4R)-4-(5-bromo-2-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 704724
4-(2-chlorophenyl)-7-methoxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 169419884
2-methoxyethyl (4S)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7297665
6,7-dimethoxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 2962899
6,7-dimethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 2939263

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one (CID 673218) is (4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one is Cc1cc2c(cc1C)[C@H](c1cccc(Cl)c1)CC(=O)N2.
What is the InChIKey of (4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KKUIPORDNAXAJC-AWEZNQCLSA-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)/t14-/m0/s1.
What are the key properties of (4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
(4S)-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 (4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 673218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).