(4R,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(6-methyl-4-oxochromen-3-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C36H34N2O6 — CID 1289559

IUPAC(4R,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(6-methyl-4-oxochromen-3-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2coc3ccc(C)cc3c2=O)cc1OC
InChIInChI=1S/C36H34N2O6/c1-19-10-12-29-24(14-19)35(40)25(18-44-29)33-32(36(41)38-26-9-7-6-8-20(26)2)21(3)37-27-15-23(16-28(39)34(27)33)22-11-13-30(42-4)31(17-22)43-5/h6-14,17-18,23,33,37H,15-16H2,1-5H3,(H,38,41)/t23-,33+/m0/s1
InChIKeyBQVYVLQDZBLVLO-FLASPHMUSA-N
MW590.68 g/mol
LogP6.43
Rot. Bonds6

About (4R,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(6-methyl-4-oxochromen-3-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

(4R,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(6-methyl-4-oxochromen-3-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 1289559) has the molecular formula C36H34N2O6 and a molecular weight of 590.68 g/mol. Its IUPAC name is (4R,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(6-methyl-4-oxochromen-3-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(4R,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(6-methyl-4-oxochromen-3-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID1289559
Molecular FormulaC36H34N2O6
Molecular Weight590.68 g/mol
Exact Mass590.24
IUPAC Name(4R,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(6-methyl-4-oxochromen-3-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2coc3ccc(C)cc3c2=O)cc1OC
InChIInChI=1S/C36H34N2O6/c1-19-10-12-29-24(14-19)35(40)25(18-44-29)33-32(36(41)38-26-9-7-6-8-20(26)2)21(3)37-27-15-23(16-28(39)34(27)33)22-11-13-30(42-4)31(17-22)43-5/h6-14,17-18,23,33,37H,15-16H2,1-5H3,(H,38,41)/t23-,33+/m0/s1
InChIKeyBQVYVLQDZBLVLO-FLASPHMUSA-N
XLogP6.43
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.68
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4R,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(6-methyl-4-oxochromen-3-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

(4R,7S)-7-(3,4-dimethoxyphenyl)-4-(2,5-dimethylphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 94850807
7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 17379987
(4R,7S)-7-(3,4-dimethoxyphenyl)-4-(2-fluorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 28925188
(4S,7S)-7-(3,4-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 94850710
(4S,7R)-7-(3,4-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1289553
(4S,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-4-(5-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 28925181
2-ethylsulfanylethyl (4S,7S)-7-(4-ethoxy-3-methoxyphenyl)-2-methyl-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 92853689
2-methoxyethyl 7-(3-methoxyphenyl)-2-methyl-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 3436456
7-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 17379921
methyl (4R,7R)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1125034
7-(3,4-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 17379938
(4R,7R)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51465930

Frequently Asked Questions

What is the IUPAC name of (4R,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(6-methyl-4-oxochromen-3-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of (4R,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(6-methyl-4-oxochromen-3-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 1289559) is (4R,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(6-methyl-4-oxochromen-3-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for (4R,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(6-methyl-4-oxochromen-3-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for (4R,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(6-methyl-4-oxochromen-3-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2coc3ccc(C)cc3c2=O)cc1OC.
What is the InChIKey of (4R,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(6-methyl-4-oxochromen-3-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is BQVYVLQDZBLVLO-FLASPHMUSA-N. The full InChI is InChI=1S/C36H34N2O6/c1-19-10-12-29-24(14-19)35(40)25(18-44-29)33-32(36(41)38-26-9-7-6-8-20(26)2)21(3)37-27-15-23(16-28(39)34(27)33)22-11-13-30(42-4)31(17-22)43-5/h6-14,17-18,23,33,37H,15-16H2,1-5H3,(H,38,41)/t23-,33+/m0/s1.
What are the key properties of (4R,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(6-methyl-4-oxochromen-3-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
(4R,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(6-methyl-4-oxochromen-3-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 590.68 g/mol, XLogP of 6.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(6-methyl-4-oxochromen-3-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 1289559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).