N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-phenylquinoline-3-carboxamide

C26H18F6N2O — CID 11248796

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-phenylquinoline-3-carboxamide
SMILESCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cnc2ccccc2c1-c1ccccc1
InChIInChI=1S/C26H18F6N2O/c1-34(15-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32)24(35)21-14-33-22-10-6-5-9-20(22)23(21)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyHOXMJKBXEYOSML-UHFFFAOYSA-N
MW488.43 g/mol
LogP7.21
Rot. Bonds4

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-phenylquinoline-3-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-phenylquinoline-3-carboxamide (PubChem CID 11248796) has the molecular formula C26H18F6N2O and a molecular weight of 488.43 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-phenylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-phenylquinoline-3-carboxamide
PubChem CID11248796
Molecular FormulaC26H18F6N2O
Molecular Weight488.43 g/mol
Exact Mass488.13
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-phenylquinoline-3-carboxamide
SMILESCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cnc2ccccc2c1-c1ccccc1
InChIInChI=1S/C26H18F6N2O/c1-34(15-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32)24(35)21-14-33-22-10-6-5-9-20(22)23(21)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyHOXMJKBXEYOSML-UHFFFAOYSA-N
XLogP7.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.43
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-phenylquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-phenylquinoline-3-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-phenylquinoline-3-carboxamide (CID 11248796) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-phenylquinoline-3-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-phenylquinoline-3-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-phenylquinoline-3-carboxamide is CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cnc2ccccc2c1-c1ccccc1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-phenylquinoline-3-carboxamide?
The InChIKey is HOXMJKBXEYOSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F6N2O/c1-34(15-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32)24(35)21-14-33-22-10-6-5-9-20(22)23(21)17-7-3-2-4-8-17/h2-14H,15H2,1H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-phenylquinoline-3-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-phenylquinoline-3-carboxamide has a molecular weight of 488.43 g/mol, XLogP of 7.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-phenylquinoline-3-carboxamide is sourced from PubChem (CID 11248796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).