6-chloro-3-(2-hydroxyethyl)-4-phenyl-1H-quinolin-2-one

C17H14ClNO2 — CID 12591900

IUPAC6-chloro-3-(2-hydroxyethyl)-4-phenyl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1CCO
InChIInChI=1S/C17H14ClNO2/c18-12-6-7-15-14(10-12)16(11-4-2-1-3-5-11)13(8-9-20)17(21)19-15/h1-7,10,20H,8-9H2,(H,19,21)
InChIKeyZTOAWQQABTUODI-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.38
Rot. Bonds3

About 6-chloro-3-(2-hydroxyethyl)-4-phenyl-1H-quinolin-2-one

6-chloro-3-(2-hydroxyethyl)-4-phenyl-1H-quinolin-2-one (PubChem CID 12591900) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 6-chloro-3-(2-hydroxyethyl)-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-(2-hydroxyethyl)-4-phenyl-1H-quinolin-2-one
PubChem CID12591900
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name6-chloro-3-(2-hydroxyethyl)-4-phenyl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1CCO
InChIInChI=1S/C17H14ClNO2/c18-12-6-7-15-14(10-12)16(11-4-2-1-3-5-11)13(8-9-20)17(21)19-15/h1-7,10,20H,8-9H2,(H,19,21)
InChIKeyZTOAWQQABTUODI-UHFFFAOYSA-N
XLogP3.38
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-Chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid
CID 921795
6-Chloro-4-methylquinolin-2(1H)-one
CID 606322
1-(6-Chloro-2-hydroxy-4-phenylquinolin-3-yl)ethanone
CID 678849
3-Amino-6-chloro-4-phenylquinolin-2-ol
CID 3810484
6-Chloro-4-phenyl-1,2-dihydroquinolin-2-one
CID 878295
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide
CID 44523157
4-(4-Chloro-2-methylanilino)-4-oxobutanoic acid
CID 731480
6-Chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl)-1-prop-2-enylquinolin-2-one
CID 51031199
3-Benzyl-6-chloro-4-hydroxy-1H-quinolin-2-one
CID 54680873
6-chloro-4-(2-chlorophenyl)-1H-quinolin-2-one
CID 21496150
6-chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl)-1H-quinolin-2-one
CID 24863612
6-chloro-4-(2-fluorophenyl)-3-(2-hydroxyethyl)-1H-quinolin-2-one
CID 25071681

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-hydroxyethyl)-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-(2-hydroxyethyl)-4-phenyl-1H-quinolin-2-one (CID 12591900) is 6-chloro-3-(2-hydroxyethyl)-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-(2-hydroxyethyl)-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-(2-hydroxyethyl)-4-phenyl-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1CCO.
What is the InChIKey of 6-chloro-3-(2-hydroxyethyl)-4-phenyl-1H-quinolin-2-one?
The InChIKey is ZTOAWQQABTUODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c18-12-6-7-15-14(10-12)16(11-4-2-1-3-5-11)13(8-9-20)17(21)19-15/h1-7,10,20H,8-9H2,(H,19,21).
What are the key properties of 6-chloro-3-(2-hydroxyethyl)-4-phenyl-1H-quinolin-2-one?
6-chloro-3-(2-hydroxyethyl)-4-phenyl-1H-quinolin-2-one has a molecular weight of 299.76 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-hydroxyethyl)-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 12591900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).