7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one

C13H16ClNO2 — CID 82174111

IUPAC7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(O)c1cc2c(c(C)c1Cl)NC(=O)CC2
InChIInChI=1S/C13H16ClNO2/c1-3-10(16)9-6-8-4-5-11(17)15-13(8)7(2)12(9)14/h6,10,16H,3-5H2,1-2H3,(H,15,17)
InChIKeyVNEQHIDCJVBBON-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.98
Rot. Bonds2

About 7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one

7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82174111) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID82174111
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(O)c1cc2c(c(C)c1Cl)NC(=O)CC2
InChIInChI=1S/C13H16ClNO2/c1-3-10(16)9-6-8-4-5-11(17)15-13(8)7(2)12(9)14/h6,10,16H,3-5H2,1-2H3,(H,15,17)
InChIKeyVNEQHIDCJVBBON-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one
CID 82173804
6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174262
8-ethyl-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174002
6-(1-hydroxy-2-thiophen-2-ylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 82174336
6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174233
6-bromo-8-(1-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174296
5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173058
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-(1-amino-2-phenylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 82174314
8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174159
6-chloro-5-(1-hydroxybutyl)-3,3,7-trimethyl-1H-indol-2-one
CID 82173873
6-chloro-8-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174232

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one (CID 82174111) is 7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one is CCC(O)c1cc2c(c(C)c1Cl)NC(=O)CC2.
What is the InChIKey of 7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VNEQHIDCJVBBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-3-10(16)9-6-8-4-5-11(17)15-13(8)7(2)12(9)14/h6,10,16H,3-5H2,1-2H3,(H,15,17).
What are the key properties of 7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one?
7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 253.73 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82174111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).