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

C23H23F3N2O3 — CID 56567475

IUPACN-cyclopropyl-7,7-dimethyl-2,5-dioxo-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)c(=O)[nH]c2C1
InChIInChI=1S/C23H23F3N2O3/c1-22(2)10-18-15(19(29)11-22)9-16(20(30)27-18)21(31)28(14-7-8-14)12-13-5-3-4-6-17(13)23(24,25)26/h3-6,9,14H,7-8,10-12H2,1-2H3,(H,27,30)
InChIKeyDIBKZIHOCAIWAA-UHFFFAOYSA-N
MW432.44 g/mol
LogP4.35
Rot. Bonds4

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

N-cyclopropyl-7,7-dimethyl-2,5-dioxo-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56567475) has the molecular formula C23H23F3N2O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-cyclopropyl-7,7-dimethyl-2,5-dioxo-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7,7-dimethyl-2,5-dioxo-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID56567475
Molecular FormulaC23H23F3N2O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC NameN-cyclopropyl-7,7-dimethyl-2,5-dioxo-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)c(=O)[nH]c2C1
InChIInChI=1S/C23H23F3N2O3/c1-22(2)10-18-15(19(29)11-22)9-16(20(30)27-18)21(31)28(14-7-8-14)12-13-5-3-4-6-17(13)23(24,25)26/h3-6,9,14H,7-8,10-12H2,1-2H3,(H,27,30)
InChIKeyDIBKZIHOCAIWAA-UHFFFAOYSA-N
XLogP4.35
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-7,7-dimethyl-2,5-dioxo-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-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

7,7-dimethyl-2,5-dioxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56562776
N-cyclopropyl-3-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazole-5-carboxamide
CID 155952612
N-cyclopropyl-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-triazole-4-carboxamide
CID 126768034
N-cyclopropyl-1-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 71885632
N-[2-(3-chloroanilino)-2-oxoethyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56567423
N-[3-(diethylcarbamoyl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56559597
(2S,4S)-N-cyclopropyl-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621334
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(trifluoromethyl)benzamide
CID 47024721
(4S)-N,4,6-trimethyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95228705
(4R)-N,4,6-trimethyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95228704
7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565626
1-cyclopropyl-3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]thiourea
CID 71893762

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7,7-dimethyl-2,5-dioxo-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-cyclopropyl-7,7-dimethyl-2,5-dioxo-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56567475) is N-cyclopropyl-7,7-dimethyl-2,5-dioxo-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7,7-dimethyl-2,5-dioxo-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7,7-dimethyl-2,5-dioxo-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide is CC1(C)CC(=O)c2cc(C(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)c(=O)[nH]c2C1.
What is the InChIKey of N-cyclopropyl-7,7-dimethyl-2,5-dioxo-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is DIBKZIHOCAIWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O3/c1-22(2)10-18-15(19(29)11-22)9-16(20(30)27-18)21(31)28(14-7-8-14)12-13-5-3-4-6-17(13)23(24,25)26/h3-6,9,14H,7-8,10-12H2,1-2H3,(H,27,30).
What are the key properties of N-cyclopropyl-7,7-dimethyl-2,5-dioxo-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide?
N-cyclopropyl-7,7-dimethyl-2,5-dioxo-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 432.44 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7,7-dimethyl-2,5-dioxo-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56567475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).