6-fluoro-1-(2-hydroxy-3-methylbutyl)-3,4-dihydroquinolin-2-one

C14H18FNO2 — CID 114249768

IUPAC6-fluoro-1-(2-hydroxy-3-methylbutyl)-3,4-dihydroquinolin-2-one
SMILESCC(C)C(O)CN1C(=O)CCc2cc(F)ccc21
InChIInChI=1S/C14H18FNO2/c1-9(2)13(17)8-16-12-5-4-11(15)7-10(12)3-6-14(16)18/h4-5,7,9,13,17H,3,6,8H2,1-2H3
InChIKeyHPAXDYYJFMRRQZ-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.12
Rot. Bonds3

About 6-fluoro-1-(2-hydroxy-3-methylbutyl)-3,4-dihydroquinolin-2-one

6-fluoro-1-(2-hydroxy-3-methylbutyl)-3,4-dihydroquinolin-2-one (PubChem CID 114249768) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 6-fluoro-1-(2-hydroxy-3-methylbutyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-fluoro-1-(2-hydroxy-3-methylbutyl)-3,4-dihydroquinolin-2-one
PubChem CID114249768
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name6-fluoro-1-(2-hydroxy-3-methylbutyl)-3,4-dihydroquinolin-2-one
SMILESCC(C)C(O)CN1C(=O)CCc2cc(F)ccc21
InChIInChI=1S/C14H18FNO2/c1-9(2)13(17)8-16-12-5-4-11(15)7-10(12)3-6-14(16)18/h4-5,7,9,13,17H,3,6,8H2,1-2H3
InChIKeyHPAXDYYJFMRRQZ-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(bromomethyl)pentyl]-6-fluoro-3,4-dihydroquinolin-2-one
CID 65010692
7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 113399039
2-[(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-3-methylbutanenitrile
CID 115254242
1-[2-(4-aminophenyl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one
CID 43519642
ethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate
CID 63899076
1-(2-cyclopentyl-2-oxoethyl)-6-fluoro-3,4-dihydroquinolin-2-one
CID 104751280
4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-3-methylbutanoic acid
CID 115219709
1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
CID 103935304
6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one
CID 82926292
1-[[1-(bromomethyl)cyclobutyl]methyl]-6-fluoro-3,4-dihydroquinolin-2-one
CID 65007723
6-fluoro-1-(2-piperidin-2-ylethyl)-3,4-dihydroquinolin-2-one
CID 61345345
5-(2-hydroxy-3-methylbutyl)-2,3-dihydro-1,5-benzoxazepin-4-one
CID 113366563

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(2-hydroxy-3-methylbutyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-fluoro-1-(2-hydroxy-3-methylbutyl)-3,4-dihydroquinolin-2-one (CID 114249768) is 6-fluoro-1-(2-hydroxy-3-methylbutyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-fluoro-1-(2-hydroxy-3-methylbutyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-fluoro-1-(2-hydroxy-3-methylbutyl)-3,4-dihydroquinolin-2-one is CC(C)C(O)CN1C(=O)CCc2cc(F)ccc21.
What is the InChIKey of 6-fluoro-1-(2-hydroxy-3-methylbutyl)-3,4-dihydroquinolin-2-one?
The InChIKey is HPAXDYYJFMRRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9(2)13(17)8-16-12-5-4-11(15)7-10(12)3-6-14(16)18/h4-5,7,9,13,17H,3,6,8H2,1-2H3.
What are the key properties of 6-fluoro-1-(2-hydroxy-3-methylbutyl)-3,4-dihydroquinolin-2-one?
6-fluoro-1-(2-hydroxy-3-methylbutyl)-3,4-dihydroquinolin-2-one has a molecular weight of 251.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(2-hydroxy-3-methylbutyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 114249768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).