N-[(S)-(4-methylphenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide

C24H18F3N3O — CID 71144526

IUPACN-[(S)-(4-methylphenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide
SMILESCc1ccc([C@H](NC(=O)c2ccc3cccnc3c2)c2ncccc2C(F)(F)F)cc1
InChIInChI=1S/C24H18F3N3O/c1-15-6-8-17(9-7-15)21(22-19(24(25,26)27)5-3-13-29-22)30-23(31)18-11-10-16-4-2-12-28-20(16)14-18/h2-14,21H,1H3,(H,30,31)/t21-/m0/s1
InChIKeyJROKQADOWNXEPY-NRFANRHFSA-N
MW421.42 g/mol
LogP5.48
Rot. Bonds4

About N-[(S)-(4-methylphenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide

N-[(S)-(4-methylphenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide (PubChem CID 71144526) has the molecular formula C24H18F3N3O and a molecular weight of 421.42 g/mol. Its IUPAC name is N-[(S)-(4-methylphenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide.

Molecular Properties

Compound NameN-[(S)-(4-methylphenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide
PubChem CID71144526
Molecular FormulaC24H18F3N3O
Molecular Weight421.42 g/mol
Exact Mass421.14
IUPAC NameN-[(S)-(4-methylphenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide
SMILESCc1ccc([C@H](NC(=O)c2ccc3cccnc3c2)c2ncccc2C(F)(F)F)cc1
InChIInChI=1S/C24H18F3N3O/c1-15-6-8-17(9-7-15)21(22-19(24(25,26)27)5-3-13-29-22)30-23(31)18-11-10-16-4-2-12-28-20(16)14-18/h2-14,21H,1H3,(H,30,31)/t21-/m0/s1
InChIKeyJROKQADOWNXEPY-NRFANRHFSA-N
XLogP5.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.42
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-methylphenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide?
The IUPAC name of N-[(S)-(4-methylphenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide (CID 71144526) is N-[(S)-(4-methylphenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide.
What is the SMILES notation for N-[(S)-(4-methylphenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide?
The canonical SMILES for N-[(S)-(4-methylphenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide is Cc1ccc([C@H](NC(=O)c2ccc3cccnc3c2)c2ncccc2C(F)(F)F)cc1.
What is the InChIKey of N-[(S)-(4-methylphenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide?
The InChIKey is JROKQADOWNXEPY-NRFANRHFSA-N. The full InChI is InChI=1S/C24H18F3N3O/c1-15-6-8-17(9-7-15)21(22-19(24(25,26)27)5-3-13-29-22)30-23(31)18-11-10-16-4-2-12-28-20(16)14-18/h2-14,21H,1H3,(H,30,31)/t21-/m0/s1.
What are the key properties of N-[(S)-(4-methylphenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide?
N-[(S)-(4-methylphenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide has a molecular weight of 421.42 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-methylphenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide is sourced from PubChem (CID 71144526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).