6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one

C17H16ClNO2 — CID 82174233

IUPAC6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccccc1C(O)c1cc(Cl)cc2c1NC(=O)CC2
InChIInChI=1S/C17H16ClNO2/c1-10-4-2-3-5-13(10)17(21)14-9-12(18)8-11-6-7-15(20)19-16(11)14/h2-5,8-9,17,21H,6-7H2,1H3,(H,19,20)
InChIKeyGNRNFPWDJCDLTC-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.61
Rot. Bonds2

About 6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one

6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82174233) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID82174233
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccccc1C(O)c1cc(Cl)cc2c1NC(=O)CC2
InChIInChI=1S/C17H16ClNO2/c1-10-4-2-3-5-13(10)17(21)14-9-12(18)8-11-6-7-15(20)19-16(11)14/h2-5,8-9,17,21H,6-7H2,1H3,(H,19,20)
InChIKeyGNRNFPWDJCDLTC-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

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Related Compounds

6-chloro-8-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174232
8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174159
6-fluoro-8-[(2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174281
6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82173975
8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174150
5-[hydroxy-(2-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 82172747
8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174090
7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 82172917
6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174262
5-[hydroxy-(2-methylphenyl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 62299917
8-chloro-6-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 14268518
6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 81480901

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 82174233) is 6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one is Cc1ccccc1C(O)c1cc(Cl)cc2c1NC(=O)CC2.
What is the InChIKey of 6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GNRNFPWDJCDLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-10-4-2-3-5-13(10)17(21)14-9-12(18)8-11-6-7-15(20)19-16(11)14/h2-5,8-9,17,21H,6-7H2,1H3,(H,19,20).
What are the key properties of 6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-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-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82174233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).