N-(2,5-dimethylphenyl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide

C25H21F3N2O3 — CID 46382874

IUPACN-(2,5-dimethylphenyl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc3c(n(-c4ccc(C(F)(F)F)cc4)c2=O)CCCC3=O)c1
InChIInChI=1S/C25H21F3N2O3/c1-14-6-7-15(2)20(12-14)29-23(32)19-13-18-21(4-3-5-22(18)31)30(24(19)33)17-10-8-16(9-11-17)25(26,27)28/h6-13H,3-5H2,1-2H3,(H,29,32)
InChIKeyCEDVPCRXGHAEAU-UHFFFAOYSA-N
MW454.45 g/mol
LogP5.24
Rot. Bonds3

About N-(2,5-dimethylphenyl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide

N-(2,5-dimethylphenyl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 46382874) has the molecular formula C25H21F3N2O3 and a molecular weight of 454.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide
PubChem CID46382874
Molecular FormulaC25H21F3N2O3
Molecular Weight454.45 g/mol
Exact Mass454.15
IUPAC NameN-(2,5-dimethylphenyl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc3c(n(-c4ccc(C(F)(F)F)cc4)c2=O)CCCC3=O)c1
InChIInChI=1S/C25H21F3N2O3/c1-14-6-7-15(2)20(12-14)29-23(32)19-13-18-21(4-3-5-22(18)31)30(24(19)33)17-10-8-16(9-11-17)25(26,27)28/h6-13H,3-5H2,1-2H3,(H,29,32)
InChIKeyCEDVPCRXGHAEAU-UHFFFAOYSA-N
XLogP5.24
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.45
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,5-dimethylphenyl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-butan-2-yl-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide
CID 46382852
N-(2-bromophenyl)-1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
CID 1293972
N-(4-methylphenyl)-2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carboxamide
CID 46382827
2,5-dioxo-N,1-diphenyl-7,8-dihydro-6H-quinoline-3-carboxamide
CID 2054310
N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
CID 92881284
1-(4-methylphenyl)-3-(morpholine-4-carbonyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 1090180
N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2094760
N-(2,4-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36704964
N-(2,5-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282282
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7777818
N-(2,5-dimethylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36675659

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide (CID 46382874) is N-(2,5-dimethylphenyl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide is Cc1ccc(C)c(NC(=O)c2cc3c(n(-c4ccc(C(F)(F)F)cc4)c2=O)CCCC3=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide?
The InChIKey is CEDVPCRXGHAEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2O3/c1-14-6-7-15(2)20(12-14)29-23(32)19-13-18-21(4-3-5-22(18)31)30(24(19)33)17-10-8-16(9-11-17)25(26,27)28/h6-13H,3-5H2,1-2H3,(H,29,32).
What are the key properties of N-(2,5-dimethylphenyl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide?
N-(2,5-dimethylphenyl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 454.45 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 46382874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).