1-[5-ethyl-8-(3-fluorophenyl)-4a,8a-dihydroquinolin-7-yl]ethanone

C19H18FNO — CID 123827216

IUPAC1-[5-ethyl-8-(3-fluorophenyl)-4a,8a-dihydroquinolin-7-yl]ethanone
SMILESCCC1=CC(C(C)=O)=C(c2cccc(F)c2)C2N=CC=CC12
InChIInChI=1S/C19H18FNO/c1-3-13-11-17(12(2)22)18(14-6-4-7-15(20)10-14)19-16(13)8-5-9-21-19/h4-11,16,19H,3H2,1-2H3
InChIKeyJVXJCZIIDUUAEV-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.14
Rot. Bonds3

About 1-[5-ethyl-8-(3-fluorophenyl)-4a,8a-dihydroquinolin-7-yl]ethanone

1-[5-ethyl-8-(3-fluorophenyl)-4a,8a-dihydroquinolin-7-yl]ethanone (PubChem CID 123827216) has the molecular formula C19H18FNO and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-[5-ethyl-8-(3-fluorophenyl)-4a,8a-dihydroquinolin-7-yl]ethanone.

Molecular Properties

Compound Name1-[5-ethyl-8-(3-fluorophenyl)-4a,8a-dihydroquinolin-7-yl]ethanone
PubChem CID123827216
Molecular FormulaC19H18FNO
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC Name1-[5-ethyl-8-(3-fluorophenyl)-4a,8a-dihydroquinolin-7-yl]ethanone
SMILESCCC1=CC(C(C)=O)=C(c2cccc(F)c2)C2N=CC=CC12
InChIInChI=1S/C19H18FNO/c1-3-13-11-17(12(2)22)18(14-6-4-7-15(20)10-14)19-16(13)8-5-9-21-19/h4-11,16,19H,3H2,1-2H3
InChIKeyJVXJCZIIDUUAEV-UHFFFAOYSA-N
XLogP4.14
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 90738088
1-[6-(4-fluorophenyl)-4,4,5-trimethyl-3,4a,5,6-tetrahydro-2H-quinolin-7-yl]ethanone
CID 91057443
2-[2-(2-Fluorophenyl)-3-methyl-2,3-dihydropyridin-4-yl]-3-(4-methylphenyl)cyclopenta-2,4-dien-1-one
CID 91137516
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CID 91188948
1-(5-Benzyl-3,4-dihydropyridin-6-yl)-2-methylpropan-1-one
CID 91493209
(4bS,8aS)-2-methyl-1-phenyl-4b,8a-dihydrocarbazol-3-one
CID 11047924
2,4-ditert-butyl-6-[[(1S)-1-phenylethyl]iminomethyl]cyclohexa-2,4-dien-1-one
CID 101805532
2,4-Ditert-butyl-6-(1-phenylethyliminomethyl)cyclohexa-2,4-dien-1-one
CID 102429635
2,5-dimethyl-4-[(1S)-1-phenylethyl]iminocyclohexa-2,5-dien-1-one
CID 132567949

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-8-(3-fluorophenyl)-4a,8a-dihydroquinolin-7-yl]ethanone?
The IUPAC name of 1-[5-ethyl-8-(3-fluorophenyl)-4a,8a-dihydroquinolin-7-yl]ethanone (CID 123827216) is 1-[5-ethyl-8-(3-fluorophenyl)-4a,8a-dihydroquinolin-7-yl]ethanone.
What is the SMILES notation for 1-[5-ethyl-8-(3-fluorophenyl)-4a,8a-dihydroquinolin-7-yl]ethanone?
The canonical SMILES for 1-[5-ethyl-8-(3-fluorophenyl)-4a,8a-dihydroquinolin-7-yl]ethanone is CCC1=CC(C(C)=O)=C(c2cccc(F)c2)C2N=CC=CC12.
What is the InChIKey of 1-[5-ethyl-8-(3-fluorophenyl)-4a,8a-dihydroquinolin-7-yl]ethanone?
The InChIKey is JVXJCZIIDUUAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO/c1-3-13-11-17(12(2)22)18(14-6-4-7-15(20)10-14)19-16(13)8-5-9-21-19/h4-11,16,19H,3H2,1-2H3.
What are the key properties of 1-[5-ethyl-8-(3-fluorophenyl)-4a,8a-dihydroquinolin-7-yl]ethanone?
1-[5-ethyl-8-(3-fluorophenyl)-4a,8a-dihydroquinolin-7-yl]ethanone has a molecular weight of 295.36 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-8-(3-fluorophenyl)-4a,8a-dihydroquinolin-7-yl]ethanone is sourced from PubChem (CID 123827216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).