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

C32H31BrN2O4 — CID 17379909

IUPAC4-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCOc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)C3c2ccc(Br)cc2)cc1OC
InChIInChI=1S/C32H31BrN2O4/c1-18-5-12-24(13-6-18)35-32(37)29-19(2)34-25-15-22(21-9-14-27(38-3)28(17-21)39-4)16-26(36)31(25)30(29)20-7-10-23(33)11-8-20/h5-14,17,22,30,34H,15-16H2,1-4H3,(H,35,37)
InChIKeyGZWVWGLQEYCUDL-UHFFFAOYSA-N
MW587.51 g/mol
LogP6.78
Rot. Bonds6

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

4-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 17379909) has the molecular formula C32H31BrN2O4 and a molecular weight of 587.51 g/mol. Its IUPAC name is 4-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID17379909
Molecular FormulaC32H31BrN2O4
Molecular Weight587.51 g/mol
Exact Mass586.15
IUPAC Name4-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCOc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)C3c2ccc(Br)cc2)cc1OC
InChIInChI=1S/C32H31BrN2O4/c1-18-5-12-24(13-6-18)35-32(37)29-19(2)34-25-15-22(21-9-14-27(38-3)28(17-21)39-4)16-26(36)31(25)30(29)20-7-10-23(33)11-8-20/h5-14,17,22,30,34H,15-16H2,1-4H3,(H,35,37)
InChIKeyGZWVWGLQEYCUDL-UHFFFAOYSA-N
XLogP6.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.51
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 17379964
(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
methyl (4S,7S)-4-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1017233
7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 17379942
(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
ethyl (4S,7R)-4-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 994572
methyl (4S,7R)-4-(5-bromo-2-methoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 995663
7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 17379987
(4S,7S)-4-(1,3-benzodioxol-5-yl)-7-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92853583
(4R,7R)-4-(1,3-benzodioxol-5-yl)-7-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92853586
methyl (4R,7S)-7-(3,4-dimethoxyphenyl)-4-(4-methoxycarbonylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 995633
(4R,7S)-7-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 94850331

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 17379909) is 4-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)C3c2ccc(Br)cc2)cc1OC.
What is the InChIKey of 4-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is GZWVWGLQEYCUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31BrN2O4/c1-18-5-12-24(13-6-18)35-32(37)29-19(2)34-25-15-22(21-9-14-27(38-3)28(17-21)39-4)16-26(36)31(25)30(29)20-7-10-23(33)11-8-20/h5-14,17,22,30,34H,15-16H2,1-4H3,(H,35,37).
What are the key properties of 4-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 587.51 g/mol, XLogP of 6.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 17379909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).