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

C20H22F3N3O2 — CID 171904086

IUPACN-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
SMILESCCCN1CCC(NC(=O)C2C=CC(C(F)(F)F)=NC2=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/h4-7,11,14-15H,3,8-10H2,1-2H3,(H,24,27)
InChIKeyCTGBVQHQTSUMBS-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.49
Rot. Bonds4

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

N-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide (PubChem CID 171904086) 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)-3H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
PubChem CID171904086
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)-3H-pyridine-3-carboxamide
SMILESCCCN1CCC(NC(=O)C2C=CC(C(F)(F)F)=NC2=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/h4-7,11,14-15H,3,8-10H2,1-2H3,(H,24,27)
InChIKeyCTGBVQHQTSUMBS-UHFFFAOYSA-N
XLogP3.49
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)ethyl]propanamide
CID 122188353
N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide
CID 155353588
2-oxo-N-[phenyl(1,2,3,4-tetrahydroquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464429
N-[[3-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464490
N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464721
N-[(2R,4R)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464826
N-[(2R,4R)-7-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464937
N-[(2R,4R)-6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155465035
N-[(2S,4R)-6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155571780
N-[(2R,4S)-7-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166626786
N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 20269139
N-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464392

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)-3H-pyridine-3-carboxamide?
The IUPAC name of N-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide (CID 171904086) is N-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-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)-3H-pyridine-3-carboxamide?
The canonical SMILES for N-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide is CCCN1CCC(NC(=O)C2C=CC(C(F)(F)F)=NC2=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)-3H-pyridine-3-carboxamide?
The InChIKey is CTGBVQHQTSUMBS-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/h4-7,11,14-15H,3,8-10H2,1-2H3,(H,24,27).
What are the key properties of N-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
N-(7-methyl-1-propyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 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)-3H-pyridine-3-carboxamide is sourced from PubChem (CID 171904086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).