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

C29H25FN2O — CID 146739323

IUPAC3-[[(4-fluorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)Cc3cccc4ccccc34)cc2c1
InChIInChI=1S/C29H25FN2O/c1-20-9-14-28-24(15-20)16-25(29(33)31-28)19-32(17-21-10-12-26(30)13-11-21)18-23-7-4-6-22-5-2-3-8-27(22)23/h2-16H,17-19H2,1H3,(H,31,33)
InChIKeyRKDAQVFARVGUSU-UHFFFAOYSA-N
MW436.53 g/mol
LogP6.33
Rot. Bonds6

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

3-[[(4-fluorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 146739323) has the molecular formula C29H25FN2O and a molecular weight of 436.53 g/mol. Its IUPAC name is 3-[[(4-fluorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(4-fluorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
PubChem CID146739323
Molecular FormulaC29H25FN2O
Molecular Weight436.53 g/mol
Exact Mass436.20
IUPAC Name3-[[(4-fluorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)Cc3cccc4ccccc34)cc2c1
InChIInChI=1S/C29H25FN2O/c1-20-9-14-28-24(15-20)16-25(29(33)31-28)19-32(17-21-10-12-26(30)13-11-21)18-23-7-4-6-22-5-2-3-8-27(22)23/h2-16H,17-19H2,1H3,(H,31,33)
InChIKeyRKDAQVFARVGUSU-UHFFFAOYSA-N
XLogP6.33
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.53
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(4-fluorophenyl)ethyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 142441665
3-[[(4-fluorophenyl)methyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3200605
3-[[(3-fluorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 5047481
3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3176963
3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 142441698
1-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1134227
3-[[benzyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 1170636
N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 858516
methyl 2-[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
CID 3183872
3-[[benzyl-[(1-tert-butyltetrazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 1170556
3-[[(1-tert-butyltetrazol-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3200452
N-[(4-fluorophenyl)methyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1161628

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-fluorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[(4-fluorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one (CID 146739323) is 3-[[(4-fluorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(4-fluorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[(4-fluorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)Cc3cccc4ccccc34)cc2c1.
What is the InChIKey of 3-[[(4-fluorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is RKDAQVFARVGUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN2O/c1-20-9-14-28-24(15-20)16-25(29(33)31-28)19-32(17-21-10-12-26(30)13-11-21)18-23-7-4-6-22-5-2-3-8-27(22)23/h2-16H,17-19H2,1H3,(H,31,33).
What are the key properties of 3-[[(4-fluorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
3-[[(4-fluorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 436.53 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-fluorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 146739323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).