1-[4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorophenyl]ethanone

C17H16FNO — CID 29275006

IUPAC1-[4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(N2CCCc3ccccc32)c(F)c1
InChIInChI=1S/C17H16FNO/c1-12(20)14-8-9-17(15(18)11-14)19-10-4-6-13-5-2-3-7-16(13)19/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyVUYSCYJEUDIAIL-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.11
Rot. Bonds2

About 1-[4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorophenyl]ethanone

1-[4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorophenyl]ethanone (PubChem CID 29275006) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-[4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorophenyl]ethanone
PubChem CID29275006
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name1-[4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(N2CCCc3ccccc32)c(F)c1
InChIInChI=1S/C17H16FNO/c1-12(20)14-8-9-17(15(18)11-14)19-10-4-6-13-5-2-3-7-16(13)19/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyVUYSCYJEUDIAIL-UHFFFAOYSA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-(3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 60989495
4-(3,4-dihydro-2H-quinolin-1-yl)-3,5-difluorobenzoic acid
CID 63537981
4-(2,3-dihydroindol-1-yl)-3-fluorobenzenecarbothioamide
CID 43657805
4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorobenzonitrile
CID 43657235
3-fluoro-4-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]benzoic acid
CID 149218970
1-(6-acetyl-3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110737728
(2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 26383352
1-[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]ethanol
CID 43506012
1-[3-fluoro-4-[4-(2-nitrophenyl)piperazin-1-yl]phenyl]ethanone
CID 26447855
(3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 23120300
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid
CID 62136292
N-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide
CID 109127449

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorophenyl]ethanone?
The IUPAC name of 1-[4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorophenyl]ethanone (CID 29275006) is 1-[4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorophenyl]ethanone is CC(=O)c1ccc(N2CCCc3ccccc32)c(F)c1.
What is the InChIKey of 1-[4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorophenyl]ethanone?
The InChIKey is VUYSCYJEUDIAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-12(20)14-8-9-17(15(18)11-14)19-10-4-6-13-5-2-3-7-16(13)19/h2-3,5,7-9,11H,4,6,10H2,1H3.
What are the key properties of 1-[4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorophenyl]ethanone?
1-[4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorophenyl]ethanone has a molecular weight of 269.32 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorophenyl]ethanone is sourced from PubChem (CID 29275006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).