6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one

C17H16ClNO2 — CID 106862670

IUPAC6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(C(O)c2ccc3c(c2)CCC(=O)N3)c(Cl)c1
InChIInChI=1S/C17H16ClNO2/c1-10-2-5-13(14(18)8-10)17(21)12-3-6-15-11(9-12)4-7-16(20)19-15/h2-3,5-6,8-9,17,21H,4,7H2,1H3,(H,19,20)
InChIKeyFYSWNYNBZWLCTQ-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.61
Rot. Bonds2

About 6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one

6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 106862670) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID106862670
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(C(O)c2ccc3c(c2)CCC(=O)N3)c(Cl)c1
InChIInChI=1S/C17H16ClNO2/c1-10-2-5-13(14(18)8-10)17(21)12-3-6-15-11(9-12)4-7-16(20)19-15/h2-3,5-6,8-9,17,21H,4,7H2,1H3,(H,19,20)
InChIKeyFYSWNYNBZWLCTQ-UHFFFAOYSA-N
XLogP3.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-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-[chloro-(2,4-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61085790
6-[(3-chloro-2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
CID 81264995
6-[chloro-(2,5-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61085170
6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 19854729
5-[(2-bromo-5-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 81112630
6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61080517
6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61083968
6-[(1S)-2-chloro-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453325
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61086798
6-[amino-(4-bromo-2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43629721
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one (CID 106862670) is 6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one is Cc1ccc(C(O)c2ccc3c(c2)CCC(=O)N3)c(Cl)c1.
What is the InChIKey of 6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FYSWNYNBZWLCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-10-2-5-13(14(18)8-10)17(21)12-3-6-15-11(9-12)4-7-16(20)19-15/h2-3,5-6,8-9,17,21H,4,7H2,1H3,(H,19,20).
What are the key properties of 6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 301.77 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 106862670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).