2-oxo-N-[phenyl(1,2,3,4-tetrahydroquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C23H20F3N3O2 — CID 155464429

IUPAC2-oxo-N-[phenyl(1,2,3,4-tetrahydroquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc2c(c1)NCCC2)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)19-11-10-17(21(30)28-19)22(31)29-20(15-5-2-1-3-6-15)16-9-8-14-7-4-12-27-18(14)13-16/h1-3,5-6,8-11,13,20,27H,4,7,12H2,(H,28,30)(H,29,31)
InChIKeyHTBHJFYYXZVWGQ-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.27
Rot. Bonds4

About 2-oxo-N-[phenyl(1,2,3,4-tetrahydroquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-N-[phenyl(1,2,3,4-tetrahydroquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464429) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 2-oxo-N-[phenyl(1,2,3,4-tetrahydroquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[phenyl(1,2,3,4-tetrahydroquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464429
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name2-oxo-N-[phenyl(1,2,3,4-tetrahydroquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc2c(c1)NCCC2)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)19-11-10-17(21(30)28-19)22(31)29-20(15-5-2-1-3-6-15)16-9-8-14-7-4-12-27-18(14)13-16/h1-3,5-6,8-11,13,20,27H,4,7,12H2,(H,28,30)(H,29,31)
InChIKeyHTBHJFYYXZVWGQ-UHFFFAOYSA-N
XLogP4.27
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-oxo-N-[phenyl(1,2,3,4-tetrahydroquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinolin-2-one
CID 168285892
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 46911790
1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide
CID 118735884
N-(7-Methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-N-(2-m-tolyl-ethyl)-acetamide
CID 1453411
7-Methyl-3-[(2-o-tolyl-ethylamino)-methyl]-1H-quinolin-2-one
CID 3176400
7-Methyl-3-[(2-m-tolyl-ethylamino)-methyl]-1H-quinolin-2-one
CID 3176403
3-(3,4-dihydro-2H-quinolin-1-yl)-N-phenylpropanamide
CID 36014865
N-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 46682613
1-benzyl-N-cyclohexyl-2-oxoquinoline-3-carboxamide
CID 60145369
N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 60145370
1-benzyl-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
CID 142502636
4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 2449860

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[phenyl(1,2,3,4-tetrahydroquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[phenyl(1,2,3,4-tetrahydroquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464429) is 2-oxo-N-[phenyl(1,2,3,4-tetrahydroquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[phenyl(1,2,3,4-tetrahydroquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[phenyl(1,2,3,4-tetrahydroquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(c1ccccc1)c1ccc2c(c1)NCCC2)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-[phenyl(1,2,3,4-tetrahydroquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is HTBHJFYYXZVWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c24-23(25,26)19-11-10-17(21(30)28-19)22(31)29-20(15-5-2-1-3-6-15)16-9-8-14-7-4-12-27-18(14)13-16/h1-3,5-6,8-11,13,20,27H,4,7,12H2,(H,28,30)(H,29,31).
What are the key properties of 2-oxo-N-[phenyl(1,2,3,4-tetrahydroquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-[phenyl(1,2,3,4-tetrahydroquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 427.43 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[phenyl(1,2,3,4-tetrahydroquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).