6-ethyl-3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one

C31H29FN2O — CID 142441627

IUPAC6-ethyl-3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3ccc4ccccc4c3)[C@@H](C)c3ccc(F)cc3)cc2c1
InChIInChI=1S/C31H29FN2O/c1-3-22-9-15-30-27(16-22)18-28(31(35)33-30)20-34(21(2)24-11-13-29(32)14-12-24)19-23-8-10-25-6-4-5-7-26(25)17-23/h4-18,21H,3,19-20H2,1-2H3,(H,33,35)/t21-/m0/s1
InChIKeyJVFNKKBJOGHPTG-NRFANRHFSA-N
MW464.58 g/mol
LogP7.15
Rot. Bonds7

About 6-ethyl-3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one

6-ethyl-3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 142441627) has the molecular formula C31H29FN2O and a molecular weight of 464.58 g/mol. Its IUPAC name is 6-ethyl-3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
PubChem CID142441627
Molecular FormulaC31H29FN2O
Molecular Weight464.58 g/mol
Exact Mass464.23
IUPAC Name6-ethyl-3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3ccc4ccccc4c3)[C@@H](C)c3ccc(F)cc3)cc2c1
InChIInChI=1S/C31H29FN2O/c1-3-22-9-15-30-27(16-22)18-28(31(35)33-30)20-34(21(2)24-11-13-29(32)14-12-24)19-23-8-10-25-6-4-5-7-26(25)17-23/h4-18,21H,3,19-20H2,1-2H3,(H,33,35)/t21-/m0/s1
InChIKeyJVFNKKBJOGHPTG-NRFANRHFSA-N
XLogP7.15
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.58
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 142441698
3-[[1-(4-fluorophenyl)ethyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 142441665
1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-[(1R)-1-phenylethyl]thiourea
CID 40595015
3-[[(4-tert-butylphenyl)methyl-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]methyl]-6-(trifluoromethyl)-1H-quinolin-2-one
CID 166636097
3-[[(4-tert-butylphenyl)methyl-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]methyl]-6-cyclopropyl-1H-quinolin-2-one
CID 166632632
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 1161906
1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(1-phenylethyl)thiourea
CID 3170315
1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(2-hydroxyethyl)thiourea
CID 1133613
3-[[1-(1-cyclopentyltetrazol-5-yl)propyl-[(4-fluorophenyl)methyl]amino]methyl]-6-ethyl-1H-quinolin-2-one
CID 3199175
3-[[(4-fluorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 146739323
3-[[benzyl-[1-(1-benzyltetrazol-5-yl)propyl]amino]methyl]-6-ethyl-1H-quinolin-2-one
CID 3199192
1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)thiourea
CID 1134184

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethyl-3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one (CID 142441627) is 6-ethyl-3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethyl-3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethyl-3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c(CN(Cc3ccc4ccccc4c3)[C@@H](C)c3ccc(F)cc3)cc2c1.
What is the InChIKey of 6-ethyl-3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is JVFNKKBJOGHPTG-NRFANRHFSA-N. The full InChI is InChI=1S/C31H29FN2O/c1-3-22-9-15-30-27(16-22)18-28(31(35)33-30)20-34(21(2)24-11-13-29(32)14-12-24)19-23-8-10-25-6-4-5-7-26(25)17-23/h4-18,21H,3,19-20H2,1-2H3,(H,33,35)/t21-/m0/s1.
What are the key properties of 6-ethyl-3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
6-ethyl-3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 464.58 g/mol, XLogP of 7.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 142441627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).