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

C30H27FN2O — CID 142441665

IUPAC3-[[1-(4-fluorophenyl)ethyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(Cc3cccc4ccccc34)C(C)c3ccc(F)cc3)cc2c1
InChIInChI=1S/C30H27FN2O/c1-20-10-15-29-25(16-20)17-26(30(34)32-29)19-33(21(2)22-11-13-27(31)14-12-22)18-24-8-5-7-23-6-3-4-9-28(23)24/h3-17,21H,18-19H2,1-2H3,(H,32,34)
InChIKeyXWXXAPLAHFJUJW-UHFFFAOYSA-N
MW450.56 g/mol
LogP6.89
Rot. Bonds6

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

3-[[1-(4-fluorophenyl)ethyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 142441665) has the molecular formula C30H27FN2O and a molecular weight of 450.56 g/mol. Its IUPAC name is 3-[[1-(4-fluorophenyl)ethyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[1-(4-fluorophenyl)ethyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
PubChem CID142441665
Molecular FormulaC30H27FN2O
Molecular Weight450.56 g/mol
Exact Mass450.21
IUPAC Name3-[[1-(4-fluorophenyl)ethyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(Cc3cccc4ccccc34)C(C)c3ccc(F)cc3)cc2c1
InChIInChI=1S/C30H27FN2O/c1-20-10-15-29-25(16-20)17-26(30(34)32-29)19-33(21(2)22-11-13-27(31)14-12-22)18-24-8-5-7-23-6-3-4-9-28(23)24/h3-17,21H,18-19H2,1-2H3,(H,32,34)
InChIKeyXWXXAPLAHFJUJW-UHFFFAOYSA-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

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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-[[(4-fluorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 146739323
6-ethyl-3-[[[(1S)-1-(4-fluorophenyl)ethyl]-(naphthalen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 142441627
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 4972680
3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449583
3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3176963
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide
CID 4903834
N-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1453507
N-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1453499
3-[[(3-fluorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 5047481
N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 858516
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)acetamide
CID 950393

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-fluorophenyl)ethyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[1-(4-fluorophenyl)ethyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one (CID 142441665) is 3-[[1-(4-fluorophenyl)ethyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[1-(4-fluorophenyl)ethyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[1-(4-fluorophenyl)ethyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(CN(Cc3cccc4ccccc34)C(C)c3ccc(F)cc3)cc2c1.
What is the InChIKey of 3-[[1-(4-fluorophenyl)ethyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is XWXXAPLAHFJUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN2O/c1-20-10-15-29-25(16-20)17-26(30(34)32-29)19-33(21(2)22-11-13-27(31)14-12-22)18-24-8-5-7-23-6-3-4-9-28(23)24/h3-17,21H,18-19H2,1-2H3,(H,32,34).
What are the key properties of 3-[[1-(4-fluorophenyl)ethyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one?
3-[[1-(4-fluorophenyl)ethyl-(naphthalen-1-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-[[1-(4-fluorophenyl)ethyl-(naphthalen-1-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 142441665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).