N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide

C18H13F3N2O — CID 59192094

IUPACN-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccc2ncccc2c1
InChIInChI=1S/C18H13F3N2O/c19-18(20,21)15-5-1-3-12(9-15)11-23-17(24)14-6-7-16-13(10-14)4-2-8-22-16/h1-10H,11H2,(H,23,24)
InChIKeyLGTAVFLOPIOELH-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.18
Rot. Bonds3

About N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide

N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide (PubChem CID 59192094) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
PubChem CID59192094
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC NameN-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccc2ncccc2c1
InChIInChI=1S/C18H13F3N2O/c19-18(20,21)15-5-1-3-12(9-15)11-23-17(24)14-6-7-16-13(10-14)4-2-8-22-16/h1-10H,11H2,(H,23,24)
InChIKeyLGTAVFLOPIOELH-UHFFFAOYSA-N
XLogP4.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide
CID 59192286
N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide
CID 58387959
N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide
CID 103726459
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
2-(2-cyclopropyl-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 149457957
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117087020
N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946

Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide?
The IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide (CID 59192094) is N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2ncccc2c1.
What is the InChIKey of N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide?
The InChIKey is LGTAVFLOPIOELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O/c19-18(20,21)15-5-1-3-12(9-15)11-23-17(24)14-6-7-16-13(10-14)4-2-8-22-16/h1-10H,11H2,(H,23,24).
What are the key properties of N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide?
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide has a molecular weight of 330.31 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 59192094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).