(4S,7S)-4-(4-chlorophenyl)-N-(2,6-difluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide

C29H23ClF2N2O2 — CID 7307738

IUPAC(4S,7S)-4-(4-chlorophenyl)-N-(2,6-difluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
SMILESCC1=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H](c2ccc(Cl)cc2)C1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C29H23ClF2N2O2/c1-16-25(29(36)34-28-21(31)8-5-9-22(28)32)26(18-10-12-20(30)13-11-18)27-23(33-16)14-19(15-24(27)35)17-6-3-2-4-7-17/h2-13,19,25-26H,14-15H2,1H3,(H,34,36)/t19-,25?,26+/m0/s1
InChIKeyVSWBLLVQDHBNDB-YSOXYRSOSA-N
MW504.96 g/mol
LogP6.83
Rot. Bonds4

About (4S,7S)-4-(4-chlorophenyl)-N-(2,6-difluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide

(4S,7S)-4-(4-chlorophenyl)-N-(2,6-difluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide (PubChem CID 7307738) has the molecular formula C29H23ClF2N2O2 and a molecular weight of 504.96 g/mol. Its IUPAC name is (4S,7S)-4-(4-chlorophenyl)-N-(2,6-difluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(4S,7S)-4-(4-chlorophenyl)-N-(2,6-difluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
PubChem CID7307738
Molecular FormulaC29H23ClF2N2O2
Molecular Weight504.96 g/mol
Exact Mass504.14
IUPAC Name(4S,7S)-4-(4-chlorophenyl)-N-(2,6-difluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
SMILESCC1=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H](c2ccc(Cl)cc2)C1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C29H23ClF2N2O2/c1-16-25(29(36)34-28-21(31)8-5-9-22(28)32)26(18-10-12-20(30)13-11-18)27-23(33-16)14-19(15-24(27)35)17-6-3-2-4-7-17/h2-13,19,25-26H,14-15H2,1H3,(H,34,36)/t19-,25?,26+/m0/s1
InChIKeyVSWBLLVQDHBNDB-YSOXYRSOSA-N
XLogP6.83
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.96
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S,7S)-4-(4-chlorophenyl)-N-(2,6-difluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-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

methyl (4S,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7089859
ethyl (4S,7R)-4-(4-chlorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6966655
methyl (4S,7S)-4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6960024
2-methoxyethyl (4R,7R)-4-(4-chlorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7088696
ethyl (4S,7S)-4,7-bis(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7909706
methyl (4S,7R)-4-(2-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7459992
(4S,7S)-4-(4-chlorophenyl)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 7425733
2-phenylethyl (4R,7S)-7-(4-chlorophenyl)-4-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7090181
methyl (4S,7S)-7-(2-chlorophenyl)-4-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6982274
2-methoxyethyl 7-(4-chlorophenyl)-4-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 74712359
methyl (4R,7R)-7-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6967779
propan-2-yl (4S,7R)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6968530

Frequently Asked Questions

What is the IUPAC name of (4S,7S)-4-(4-chlorophenyl)-N-(2,6-difluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?
The IUPAC name of (4S,7S)-4-(4-chlorophenyl)-N-(2,6-difluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide (CID 7307738) is (4S,7S)-4-(4-chlorophenyl)-N-(2,6-difluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide.
What is the SMILES notation for (4S,7S)-4-(4-chlorophenyl)-N-(2,6-difluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?
The canonical SMILES for (4S,7S)-4-(4-chlorophenyl)-N-(2,6-difluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide is CC1=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H](c2ccc(Cl)cc2)C1C(=O)Nc1c(F)cccc1F.
What is the InChIKey of (4S,7S)-4-(4-chlorophenyl)-N-(2,6-difluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?
The InChIKey is VSWBLLVQDHBNDB-YSOXYRSOSA-N. The full InChI is InChI=1S/C29H23ClF2N2O2/c1-16-25(29(36)34-28-21(31)8-5-9-22(28)32)26(18-10-12-20(30)13-11-18)27-23(33-16)14-19(15-24(27)35)17-6-3-2-4-7-17/h2-13,19,25-26H,14-15H2,1H3,(H,34,36)/t19-,25?,26+/m0/s1.
What are the key properties of (4S,7S)-4-(4-chlorophenyl)-N-(2,6-difluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?
(4S,7S)-4-(4-chlorophenyl)-N-(2,6-difluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide has a molecular weight of 504.96 g/mol, XLogP of 6.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7S)-4-(4-chlorophenyl)-N-(2,6-difluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide is sourced from PubChem (CID 7307738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).