7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one

C13H16FNO2 — CID 113399039

IUPAC7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one
SMILESCC(O)CCN1C(=O)CCc2ccc(F)cc21
InChIInChI=1S/C13H16FNO2/c1-9(16)6-7-15-12-8-11(14)4-2-10(12)3-5-13(15)17/h2,4,8-9,16H,3,5-7H2,1H3
InChIKeyQSCVRTQZMPOJIC-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.88
Rot. Bonds3

About 7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one

7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one (PubChem CID 113399039) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one
PubChem CID113399039
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one
SMILESCC(O)CCN1C(=O)CCc2ccc(F)cc21
InChIInChI=1S/C13H16FNO2/c1-9(16)6-7-15-12-8-11(14)4-2-10(12)3-5-13(15)17/h2,4,8-9,16H,3,5-7H2,1H3
InChIKeyQSCVRTQZMPOJIC-UHFFFAOYSA-N
XLogP1.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)butanenitrile
CID 43243930
3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal
CID 63041512
7-fluoro-1-[2-(propylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 61387630
4-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide
CID 43243934
tert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 116662624
7-fluoro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one
CID 61387656
7-fluoro-1-propan-2-yl-3,4-dihydroquinolin-2-one
CID 163270720
7-fluoro-1-prop-2-ynyl-3,4-dihydroquinolin-2-one
CID 61344681
6-fluoro-1-(2-hydroxy-3-methylbutyl)-3,4-dihydroquinolin-2-one
CID 114249768
7-fluoro-1-[2-(propylaminomethyl)prop-2-enyl]-3,4-dihydroquinolin-2-one
CID 103071710
1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one
CID 62017896
2-[1-[(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)methyl]cyclopropyl]ethanethioamide
CID 65496611

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one (CID 113399039) is 7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one is CC(O)CCN1C(=O)CCc2ccc(F)cc21.
What is the InChIKey of 7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one?
The InChIKey is QSCVRTQZMPOJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9(16)6-7-15-12-8-11(14)4-2-10(12)3-5-13(15)17/h2,4,8-9,16H,3,5-7H2,1H3.
What are the key properties of 7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one?
7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one has a molecular weight of 237.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 113399039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).