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

C25H16F6N2O — CID 11363490

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylquinoline-3-carboxamide
SMILESO=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc2ccccc2c1-c1ccccc1
InChIInChI=1S/C25H16F6N2O/c26-24(27,28)17-10-15(11-18(12-17)25(29,30)31)13-33-23(34)20-14-32-21-9-5-4-8-19(21)22(20)16-6-2-1-3-7-16/h1-12,14H,13H2,(H,33,34)
InChIKeyOITQQVPZHBLPSD-UHFFFAOYSA-N
MW474.40 g/mol
LogP6.87
Rot. Bonds4

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

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylquinoline-3-carboxamide (PubChem CID 11363490) has the molecular formula C25H16F6N2O and a molecular weight of 474.40 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylquinoline-3-carboxamide
PubChem CID11363490
Molecular FormulaC25H16F6N2O
Molecular Weight474.40 g/mol
Exact Mass474.12
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylquinoline-3-carboxamide
SMILESO=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc2ccccc2c1-c1ccccc1
InChIInChI=1S/C25H16F6N2O/c26-24(27,28)17-10-15(11-18(12-17)25(29,30)31)13-33-23(34)20-14-32-21-9-5-4-8-19(21)22(20)16-6-2-1-3-7-16/h1-12,14H,13H2,(H,33,34)
InChIKeyOITQQVPZHBLPSD-UHFFFAOYSA-N
XLogP6.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.40
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylquinoline-3-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylquinoline-3-carboxamide (CID 11363490) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylquinoline-3-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylquinoline-3-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylquinoline-3-carboxamide is O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc2ccccc2c1-c1ccccc1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylquinoline-3-carboxamide?
The InChIKey is OITQQVPZHBLPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F6N2O/c26-24(27,28)17-10-15(11-18(12-17)25(29,30)31)13-33-23(34)20-14-32-21-9-5-4-8-19(21)22(20)16-6-2-1-3-7-16/h1-12,14H,13H2,(H,33,34).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylquinoline-3-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylquinoline-3-carboxamide has a molecular weight of 474.40 g/mol, XLogP of 6.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylquinoline-3-carboxamide is sourced from PubChem (CID 11363490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).