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

C32H32N2O4 — CID 17379987

IUPAC7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCOc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)C3c2ccccc2)cc1OC
InChIInChI=1S/C32H32N2O4/c1-19-10-8-9-13-24(19)34-32(36)29-20(2)33-25-16-23(22-14-15-27(37-3)28(18-22)38-4)17-26(35)31(25)30(29)21-11-6-5-7-12-21/h5-15,18,23,30,33H,16-17H2,1-4H3,(H,34,36)
InChIKeyCYUIACPDVJWPCO-UHFFFAOYSA-N
MW508.62 g/mol
LogP6.01
Rot. Bonds6

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

7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 17379987) has the molecular formula C32H32N2O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID17379987
Molecular FormulaC32H32N2O4
Molecular Weight508.62 g/mol
Exact Mass508.24
IUPAC Name7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCOc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)C3c2ccccc2)cc1OC
InChIInChI=1S/C32H32N2O4/c1-19-10-8-9-13-24(19)34-32(36)29-20(2)33-25-16-23(22-14-15-27(37-3)28(18-22)38-4)17-26(35)31(25)30(29)21-11-6-5-7-12-21/h5-15,18,23,30,33H,16-17H2,1-4H3,(H,34,36)
InChIKeyCYUIACPDVJWPCO-UHFFFAOYSA-N
XLogP6.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(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)-2-methyl-N-(2-methylphenyl)-4-(5-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 28925181
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,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
(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
(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
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
(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 (4R,7R)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1125034
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
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

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 17379987) is 7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)C3c2ccccc2)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is CYUIACPDVJWPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O4/c1-19-10-8-9-13-24(19)34-32(36)29-20(2)33-25-16-23(22-14-15-27(37-3)28(18-22)38-4)17-26(35)31(25)30(29)21-11-6-5-7-12-21/h5-15,18,23,30,33H,16-17H2,1-4H3,(H,34,36).
What are the key properties of 7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 508.62 g/mol, XLogP of 6.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 17379987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).