N-[(3-fluoro-4-methylphenyl)methyl]-1-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide

C32H30F2N2O — CID 126499328

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-1-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(c2)CCCN3Cc2cccc(-c3ccccc3C)c2F)cc1F
InChIInChI=1S/C32H30F2N2O/c1-21-7-3-4-10-27(21)28-11-5-8-26(31(28)34)20-36-16-6-9-24-18-25(14-15-30(24)36)32(37)35-19-23-13-12-22(2)29(33)17-23/h3-5,7-8,10-15,17-18H,6,9,16,19-20H2,1-2H3,(H,35,37)
InChIKeyNJGARYOKGGZOIQ-UHFFFAOYSA-N
MW496.60 g/mol
LogP7.13
Rot. Bonds6

About N-[(3-fluoro-4-methylphenyl)methyl]-1-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide

N-[(3-fluoro-4-methylphenyl)methyl]-1-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 126499328) has the molecular formula C32H30F2N2O and a molecular weight of 496.60 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-1-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-1-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID126499328
Molecular FormulaC32H30F2N2O
Molecular Weight496.60 g/mol
Exact Mass496.23
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-1-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(c2)CCCN3Cc2cccc(-c3ccccc3C)c2F)cc1F
InChIInChI=1S/C32H30F2N2O/c1-21-7-3-4-10-27(21)28-11-5-8-26(31(28)34)20-36-16-6-9-24-18-25(14-15-30(24)36)32(37)35-19-23-13-12-22(2)29(33)17-23/h3-5,7-8,10-15,17-18H,6,9,16,19-20H2,1-2H3,(H,35,37)
InChIKeyNJGARYOKGGZOIQ-UHFFFAOYSA-N
XLogP7.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.60
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-fluoro-4-methylphenyl)methyl]-1-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide with MolForge

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Related Compounds

2-[3-fluoro-4-[[6-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]benzoic acid
CID 126499667
N-[(3-fluoro-4-methylphenyl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 25316758
2-[2-fluoro-3-[[6-(1-phenylethylcarbamoyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]benzoic acid
CID 123383084
2-[2-fluoro-3-[[6-(1-naphthalen-2-ylethylcarbamoyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]benzoic acid
CID 123899971
tert-butyl 2-[3-[[6-(benzylcarbamoyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]benzoate
CID 123667195
3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 43471397
tert-butyl 2-[2-fluoro-3-[[6-[[(1S)-1-phenylethyl]carbamoyl]-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]benzoate;1-[[2-fluoro-3-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid;methane;(1S)-1-phenylethanamine
CID 157383212
1-[[4-(2-carbamoylphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 123558002
3-fluoro-4-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8546489
3,4-dimethyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
CID 16837172
3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 25316330
N-(piperidin-4-ylmethyl)-1-[(2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 134253868

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide (CID 126499328) is N-[(3-fluoro-4-methylphenyl)methyl]-1-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-1-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-1-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide is Cc1ccc(CNC(=O)c2ccc3c(c2)CCCN3Cc2cccc(-c3ccccc3C)c2F)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-1-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is NJGARYOKGGZOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F2N2O/c1-21-7-3-4-10-27(21)28-11-5-8-26(31(28)34)20-36-16-6-9-24-18-25(14-15-30(24)36)32(37)35-19-23-13-12-22(2)29(33)17-23/h3-5,7-8,10-15,17-18H,6,9,16,19-20H2,1-2H3,(H,35,37).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-1-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
N-[(3-fluoro-4-methylphenyl)methyl]-1-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 496.60 g/mol, XLogP of 7.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-1-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 126499328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).