N-[4-(trifluoromethyl)phenyl]quinoline-8-carboxamide

C17H11F3N2O — CID 10495593

IUPACN-[4-(trifluoromethyl)phenyl]quinoline-8-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2cccnc12
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)12-6-8-13(9-7-12)22-16(23)14-5-1-3-11-4-2-10-21-15(11)14/h1-10H,(H,22,23)
InChIKeyACQYDHLPRKXFPV-UHFFFAOYSA-N
MW316.28 g/mol
LogP4.51
Rot. Bonds2

About N-[4-(trifluoromethyl)phenyl]quinoline-8-carboxamide

N-[4-(trifluoromethyl)phenyl]quinoline-8-carboxamide (PubChem CID 10495593) has the molecular formula C17H11F3N2O and a molecular weight of 316.28 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]quinoline-8-carboxamide
PubChem CID10495593
Molecular FormulaC17H11F3N2O
Molecular Weight316.28 g/mol
Exact Mass316.08
IUPAC NameN-[4-(trifluoromethyl)phenyl]quinoline-8-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2cccnc12
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)12-6-8-13(9-7-12)22-16(23)14-5-1-3-11-4-2-10-21-15(11)14/h1-10H,(H,22,23)
InChIKeyACQYDHLPRKXFPV-UHFFFAOYSA-N
XLogP4.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]quinoline-8-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]quinoline-8-carboxamide (CID 10495593) is N-[4-(trifluoromethyl)phenyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]quinoline-8-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]quinoline-8-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2cccnc12.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]quinoline-8-carboxamide?
The InChIKey is ACQYDHLPRKXFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O/c18-17(19,20)12-6-8-13(9-7-12)22-16(23)14-5-1-3-11-4-2-10-21-15(11)14/h1-10H,(H,22,23).
What are the key properties of N-[4-(trifluoromethyl)phenyl]quinoline-8-carboxamide?
N-[4-(trifluoromethyl)phenyl]quinoline-8-carboxamide has a molecular weight of 316.28 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]quinoline-8-carboxamide is sourced from PubChem (CID 10495593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).