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

C30H27FN2O — CID 142441698

IUPAC3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(Cc3ccc4ccccc4c3)[C@@H](C)c3ccc(F)cc3)cc2c1
InChIInChI=1S/C30H27FN2O/c1-20-7-14-29-26(15-20)17-27(30(34)32-29)19-33(21(2)23-10-12-28(31)13-11-23)18-22-8-9-24-5-3-4-6-25(24)16-22/h3-17,21H,18-19H2,1-2H3,(H,32,34)/t21-/m0/s1
InChIKeyMBFJFYAXIDRDBV-NRFANRHFSA-N
MW450.56 g/mol
LogP6.89
Rot. Bonds6

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

3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 142441698) has the molecular formula C30H27FN2O and a molecular weight of 450.56 g/mol. Its IUPAC name is 3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
PubChem CID142441698
Molecular FormulaC30H27FN2O
Molecular Weight450.56 g/mol
Exact Mass450.21
IUPAC Name3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(Cc3ccc4ccccc4c3)[C@@H](C)c3ccc(F)cc3)cc2c1
InChIInChI=1S/C30H27FN2O/c1-20-7-14-29-26(15-20)17-27(30(34)32-29)19-33(21(2)23-10-12-28(31)13-11-23)18-22-8-9-24-5-3-4-6-25(24)16-22/h3-17,21H,18-19H2,1-2H3,(H,32,34)/t21-/m0/s1
InChIKeyMBFJFYAXIDRDBV-NRFANRHFSA-N
XLogP6.89
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.56
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

6-ethyl-3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 142441627
3-[[1-(4-fluorophenyl)ethyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 142441665
3-[[(4-fluorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 146739323
3-[[(4-tert-butylphenyl)methyl-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]methyl]-6-(trifluoromethyl)-1H-quinolin-2-one
CID 166636097
3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3176963
1-[(4-fluorophenyl)methyl]-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)thiourea
CID 3171320
3-[[(4-tert-butylphenyl)methyl-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]methyl]-6-cyclopropyl-1H-quinolin-2-one
CID 166632632
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 4972680
1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-[(1R)-1-phenylethyl]thiourea
CID 40595015
1-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1134227
N-[(4-fluorophenyl)methyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1161628
3-[[(3-fluorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 5047481

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one (CID 142441698) is 3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(CN(Cc3ccc4ccccc4c3)[C@@H](C)c3ccc(F)cc3)cc2c1.
What is the InChIKey of 3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is MBFJFYAXIDRDBV-NRFANRHFSA-N. The full InChI is InChI=1S/C30H27FN2O/c1-20-7-14-29-26(15-20)17-27(30(34)32-29)19-33(21(2)23-10-12-28(31)13-11-23)18-22-8-9-24-5-3-4-6-25(24)16-22/h3-17,21H,18-19H2,1-2H3,(H,32,34)/t21-/m0/s1.
What are the key properties of 3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 450.56 g/mol, XLogP of 6.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 142441698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).