1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropan-1-one

C14H18FNO2 — CID 110636480

IUPAC1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(O)c2cc(F)ccc21
InChIInChI=1S/C14H18FNO2/c1-14(2,3)13(18)16-7-6-12(17)10-8-9(15)4-5-11(10)16/h4-5,8,12,17H,6-7H2,1-3H3
InChIKeyFZNXHFOJOPXISS-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.64
Rot. Bonds

About 1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropan-1-one

1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 110636480) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropan-1-one
PubChem CID110636480
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(O)c2cc(F)ccc21
InChIInChI=1S/C14H18FNO2/c1-14(2,3)13(18)16-7-6-12(17)10-8-9(15)4-5-11(10)16/h4-5,8,12,17H,6-7H2,1-3H3
InChIKeyFZNXHFOJOPXISS-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110636555
(4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636661
1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110636565
(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110636381
6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636596
(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110636711
1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 110636164
6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636585
6-fluoro-1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636597
tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960
(2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636672
2-ethyl-1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 110636173

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropan-1-one (CID 110636480) is 1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(O)c2cc(F)ccc21.
What is the InChIKey of 1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is FZNXHFOJOPXISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-14(2,3)13(18)16-7-6-12(17)10-8-9(15)4-5-11(10)16/h4-5,8,12,17H,6-7H2,1-3H3.
What are the key properties of 1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropan-1-one?
1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 251.30 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 110636480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).