N-methyl-N-(4-methylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide

C25H19F3N2O — CID 66914477

IUPACN-methyl-N-(4-methylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cnc3c(C(F)(F)F)cccc3c2-c2ccccc2)cc1
InChIInChI=1S/C25H19F3N2O/c1-16-11-13-18(14-12-16)30(2)24(31)20-15-29-23-19(9-6-10-21(23)25(26,27)28)22(20)17-7-4-3-5-8-17/h3-15H,1-2H3
InChIKeyNYMGWUBOLWJCOJ-UHFFFAOYSA-N
MW420.43 g/mol
LogP6.51
Rot. Bonds3

About N-methyl-N-(4-methylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide

N-methyl-N-(4-methylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 66914477) has the molecular formula C25H19F3N2O and a molecular weight of 420.43 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID66914477
Molecular FormulaC25H19F3N2O
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC NameN-methyl-N-(4-methylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cnc3c(C(F)(F)F)cccc3c2-c2ccccc2)cc1
InChIInChI=1S/C25H19F3N2O/c1-16-11-13-18(14-12-16)30(2)24(31)20-15-29-23-19(9-6-10-21(23)25(26,27)28)22(20)17-7-4-3-5-8-17/h3-15H,1-2H3
InChIKeyNYMGWUBOLWJCOJ-UHFFFAOYSA-N
XLogP6.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.43
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide (CID 66914477) is N-methyl-N-(4-methylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide is Cc1ccc(N(C)C(=O)c2cnc3c(C(F)(F)F)cccc3c2-c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is NYMGWUBOLWJCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O/c1-16-11-13-18(14-12-16)30(2)24(31)20-15-29-23-19(9-6-10-21(23)25(26,27)28)22(20)17-7-4-3-5-8-17/h3-15H,1-2H3.
What are the key properties of N-methyl-N-(4-methylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide?
N-methyl-N-(4-methylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 420.43 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 66914477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).