(4R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C25H22ClF3N2O3 — CID 1023487

IUPAC(4R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCOc1ccccc1[C@H]1C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C)NC2=C1C(=O)CCC2
InChIInChI=1S/C25H22ClF3N2O3/c1-13-21(24(33)31-18-12-14(25(27,28)29)10-11-16(18)26)22(15-6-3-4-9-20(15)34-2)23-17(30-13)7-5-8-19(23)32/h3-4,6,9-12,22,30H,5,7-8H2,1-2H3,(H,31,33)/t22-/m0/s1
InChIKeySTRWGZAOMREOPD-QFIPXVFZSA-N
MW490.91 g/mol
LogP5.97
Rot. Bonds4

About (4R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

(4R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 1023487) has the molecular formula C25H22ClF3N2O3 and a molecular weight of 490.91 g/mol. Its IUPAC name is (4R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(4R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID1023487
Molecular FormulaC25H22ClF3N2O3
Molecular Weight490.91 g/mol
Exact Mass490.13
IUPAC Name(4R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCOc1ccccc1[C@H]1C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C)NC2=C1C(=O)CCC2
InChIInChI=1S/C25H22ClF3N2O3/c1-13-21(24(33)31-18-12-14(25(27,28)29)10-11-16(18)26)22(15-6-3-4-9-20(15)34-2)23-17(30-13)7-5-8-19(23)32/h3-4,6,9-12,22,30H,5,7-8H2,1-2H3,(H,31,33)/t22-/m0/s1
InChIKeySTRWGZAOMREOPD-QFIPXVFZSA-N
XLogP5.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.91
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
(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
(4S)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1342509
4-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 3142548
(4S)-4-(2-bromophenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1014765
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 3759318
(4R)-4-(2-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1022641
(4R)-4-(2,3-dimethoxyphenyl)-N-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1339723
(4S)-N-(2,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1023576
(4R)-4-(2-chlorophenyl)-N-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1023463
N-(4-fluorophenyl)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 2949354
methyl (4S)-2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1049412

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of (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) is (4R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for (4R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for (4R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is COc1ccccc1[C@H]1C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C)NC2=C1C(=O)CCC2.
What is the InChIKey of (4R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is STRWGZAOMREOPD-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H22ClF3N2O3/c1-13-21(24(33)31-18-12-14(25(27,28)29)10-11-16(18)26)22(15-6-3-4-9-20(15)34-2)23-17(30-13)7-5-8-19(23)32/h3-4,6,9-12,22,30H,5,7-8H2,1-2H3,(H,31,33)/t22-/m0/s1.
What are the key properties of (4R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
(4R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 490.91 g/mol, XLogP of 5.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 1023487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).