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

C26H24ClF3N2O2 — CID 3759318

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(c2ccccc2)C2=C(CC(C)(C)CC2=O)N1
InChIInChI=1S/C26H24ClF3N2O2/c1-14-21(24(34)32-18-11-16(26(28,29)30)9-10-17(18)27)22(15-7-5-4-6-8-15)23-19(31-14)12-25(2,3)13-20(23)33/h4-11,22,31H,12-13H2,1-3H3,(H,32,34)
InChIKeySZMSWHZGZRMBAW-UHFFFAOYSA-N
MW488.94 g/mol
LogP6.60
Rot. Bonds3

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide (PubChem CID 3759318) has the molecular formula C26H24ClF3N2O2 and a molecular weight of 488.94 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide
PubChem CID3759318
Molecular FormulaC26H24ClF3N2O2
Molecular Weight488.94 g/mol
Exact Mass488.15
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(c2ccccc2)C2=C(CC(C)(C)CC2=O)N1
InChIInChI=1S/C26H24ClF3N2O2/c1-14-21(24(34)32-18-11-16(26(28,29)30)9-10-17(18)27)22(15-7-5-4-6-8-15)23-19(31-14)12-25(2,3)13-20(23)33/h4-11,22,31H,12-13H2,1-3H3,(H,32,34)
InChIKeySZMSWHZGZRMBAW-UHFFFAOYSA-N
XLogP6.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.94
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92848661
(4R)-4-(4-chlorophenyl)-N-(2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 92848650
2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 6615681
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
4-(4-fluorophenyl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 3142899
N-(2-fluorophenyl)-4-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 2901043
2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 2900161
(4R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1023487
(4S)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 92848707
4-(3-bromophenyl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 3144729
4-(3-fluorophenyl)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 3142947
4-(4-methoxyphenyl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 3142904

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide (CID 3759318) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide is CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(c2ccccc2)C2=C(CC(C)(C)CC2=O)N1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is SZMSWHZGZRMBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF3N2O2/c1-14-21(24(34)32-18-11-16(26(28,29)30)9-10-17(18)27)22(15-7-5-4-6-8-15)23-19(31-14)12-25(2,3)13-20(23)33/h4-11,22,31H,12-13H2,1-3H3,(H,32,34).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 488.94 g/mol, XLogP of 6.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 3759318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).