(4S)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide

C25H24F3N3O2 — CID 92848707

IUPAC(4S)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccccn2)C2=C(CC(C)(C)CC2=O)N1
InChIInChI=1S/C25H24F3N3O2/c1-14-20(23(33)31-16-8-6-7-15(11-16)25(26,27)28)22(17-9-4-5-10-29-17)21-18(30-14)12-24(2,3)13-19(21)32/h4-11,22,30H,12-13H2,1-3H3,(H,31,33)/t22-/m1/s1
InChIKeyNBRSALDDBKWEHO-JOCHJYFZSA-N
MW455.48 g/mol
LogP5.34
Rot. Bonds3

About (4S)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide

(4S)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide (PubChem CID 92848707) has the molecular formula C25H24F3N3O2 and a molecular weight of 455.48 g/mol. Its IUPAC name is (4S)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name(4S)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide
PubChem CID92848707
Molecular FormulaC25H24F3N3O2
Molecular Weight455.48 g/mol
Exact Mass455.18
IUPAC Name(4S)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccccn2)C2=C(CC(C)(C)CC2=O)N1
InChIInChI=1S/C25H24F3N3O2/c1-14-20(23(33)31-16-8-6-7-15(11-16)25(26,27)28)22(17-9-4-5-10-29-17)21-18(30-14)12-24(2,3)13-19(21)32/h4-11,22,30H,12-13H2,1-3H3,(H,31,33)/t22-/m1/s1
InChIKeyNBRSALDDBKWEHO-JOCHJYFZSA-N
XLogP5.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.48
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-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

4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 2902142
2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 6615681
2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 2900161
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 2900592
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 3759318
(4S)-N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-4-pyridin-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 1342041
(4R)-N-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 1340169
N-(3-fluorophenyl)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 2902159
(4S)-4-(2,4-dichlorophenyl)-N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 1023552
2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 2901333
pentyl 2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 3105817
4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-N-pyridin-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 23917022

Frequently Asked Questions

What is the IUPAC name of (4S)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of (4S)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide (CID 92848707) is (4S)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for (4S)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for (4S)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide is CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccccn2)C2=C(CC(C)(C)CC2=O)N1.
What is the InChIKey of (4S)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is NBRSALDDBKWEHO-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H24F3N3O2/c1-14-20(23(33)31-16-8-6-7-15(11-16)25(26,27)28)22(17-9-4-5-10-29-17)21-18(30-14)12-24(2,3)13-19(21)32/h4-11,22,30H,12-13H2,1-3H3,(H,31,33)/t22-/m1/s1.
What are the key properties of (4S)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide?
(4S)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 455.48 g/mol, XLogP of 5.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 92848707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).