4-(3-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-5-one

C22H25FN2O2 — CID 4099241

IUPAC4-(3-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-5-one
SMILESCC1=C(C(=O)N2CCCCC2)C(c2cccc(F)c2)C2C(=O)CCC=C2N1
InChIInChI=1S/C22H25FN2O2/c1-14-19(22(27)25-11-3-2-4-12-25)20(15-7-5-8-16(23)13-15)21-17(24-14)9-6-10-18(21)26/h5,7-9,13,20-21,24H,2-4,6,10-12H2,1H3
InChIKeyMBMKXIYDSZTDDK-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.66
Rot. Bonds2

About 4-(3-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-5-one

4-(3-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-5-one (PubChem CID 4099241) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-5-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-5-one
PubChem CID4099241
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name4-(3-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-5-one
SMILESCC1=C(C(=O)N2CCCCC2)C(c2cccc(F)c2)C2C(=O)CCC=C2N1
InChIInChI=1S/C22H25FN2O2/c1-14-19(22(27)25-11-3-2-4-12-25)20(15-7-5-8-16(23)13-15)21-17(24-14)9-6-10-18(21)26/h5,7-9,13,20-21,24H,2-4,6,10-12H2,1H3
InChIKeyMBMKXIYDSZTDDK-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cycloheptyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate
CID 4233053
4-(4-hydroxy-3-methoxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-5-one
CID 5140147
cyclohexyl 4-(3-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate
CID 5069321
(4S)-4-(3-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 886722
methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate
CID 3385256
(5S,5aR)-5-(3-fluorophenyl)-2-methylsulfanyl-3,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135833823
methyl 4-(3-hydroxy-4-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate
CID 4284679
cyclohexyl 4-(4-bromophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate
CID 4118899
4-(4-fluorophenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 3464795
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
cyclopentyl 2-methyl-4-(5-methylthiophen-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate
CID 4755503
methyl 2-methyl-5-oxo-4-thiophen-3-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate
CID 4055941

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-5-one?
The IUPAC name of 4-(3-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-5-one (CID 4099241) is 4-(3-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-5-one.
What is the SMILES notation for 4-(3-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-5-one?
The canonical SMILES for 4-(3-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-5-one is CC1=C(C(=O)N2CCCCC2)C(c2cccc(F)c2)C2C(=O)CCC=C2N1.
What is the InChIKey of 4-(3-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-5-one?
The InChIKey is MBMKXIYDSZTDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-14-19(22(27)25-11-3-2-4-12-25)20(15-7-5-8-16(23)13-15)21-17(24-14)9-6-10-18(21)26/h5,7-9,13,20-21,24H,2-4,6,10-12H2,1H3.
What are the key properties of 4-(3-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-5-one?
4-(3-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-5-one has a molecular weight of 368.45 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-5-one is sourced from PubChem (CID 4099241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).