N-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C20H22F3N3O2 — CID 155464392

IUPACN-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCCN1CCC(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccc(C)cc21
InChIInChI=1S/C20H22F3N3O2/c1-3-9-26-10-8-15(13-5-4-12(2)11-16(13)26)24-18(27)14-6-7-17(20(21,22)23)25-19(14)28/h4-7,11,15H,3,8-10H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyCMELMOXPZNMYAY-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.79
Rot. Bonds4

About N-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464392) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464392
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCCN1CCC(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccc(C)cc21
InChIInChI=1S/C20H22F3N3O2/c1-3-9-26-10-8-15(13-5-4-12(2)11-16(13)26)24-18(27)14-6-7-17(20(21,22)23)25-19(14)28/h4-7,11,15H,3,8-10H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyCMELMOXPZNMYAY-UHFFFAOYSA-N
XLogP3.79
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-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

Related Compounds

6-[Ethyl(propan-2-yl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9904328
6-(Dipropylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 16090310
6-(Dibutylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 16090311
7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinolin-2-one
CID 168285892
6-[Butan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 23648053
6-[Ethyl(3-oxobutan-2-yl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 23648059
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-[[(3R,4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinolin-3-yl]methyl]propanamide
CID 137631636
N-[(1-ethyl-3,4-dihydro-2H-quinolin-3-yl)methyl]acetamide
CID 137636079
N-[(1-benzyl-3,4-dihydro-2H-quinolin-3-yl)methyl]acetamide
CID 137645887
N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 771787

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464392) is N-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCCN1CCC(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccc(C)cc21.
What is the InChIKey of N-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is CMELMOXPZNMYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-3-9-26-10-8-15(13-5-4-12(2)11-16(13)26)24-18(27)14-6-7-17(20(21,22)23)25-19(14)28/h4-7,11,15H,3,8-10H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).