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

C34H36N2O6 — CID 17379921

IUPAC7-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCOc1ccccc1C1C(C(=O)Nc2ccccc2OC)=C(C)NC2=C1C(=O)CC(c1ccc(OC)c(OC)c1)C2
InChIInChI=1S/C34H36N2O6/c1-6-42-27-13-9-7-11-23(27)32-31(34(38)36-24-12-8-10-14-28(24)39-3)20(2)35-25-17-22(18-26(37)33(25)32)21-15-16-29(40-4)30(19-21)41-5/h7-16,19,22,32,35H,6,17-18H2,1-5H3,(H,36,38)
InChIKeyQWHSTXVMUMFHAU-UHFFFAOYSA-N
MW568.67 g/mol
LogP6.11
Rot. Bonds9

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

7-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 17379921) has the molecular formula C34H36N2O6 and a molecular weight of 568.67 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID17379921
Molecular FormulaC34H36N2O6
Molecular Weight568.67 g/mol
Exact Mass568.26
IUPAC Name7-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCOc1ccccc1C1C(C(=O)Nc2ccccc2OC)=C(C)NC2=C1C(=O)CC(c1ccc(OC)c(OC)c1)C2
InChIInChI=1S/C34H36N2O6/c1-6-42-27-13-9-7-11-23(27)32-31(34(38)36-24-12-8-10-14-28(24)39-3)20(2)35-25-17-22(18-26(37)33(25)32)21-15-16-29(40-4)30(19-21)41-5/h7-16,19,22,32,35H,6,17-18H2,1-5H3,(H,36,38)
InChIKeyQWHSTXVMUMFHAU-UHFFFAOYSA-N
XLogP6.11
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.67
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxyethyl (4R,7S)-7-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 51420510
(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-(2,5-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
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-fluorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 28925188
2-methoxyethyl 4-(2-butoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 3132443
7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 17379987
4-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 3142548
ethyl (4S,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-(2-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 995520
ethyl (4R,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1017199
ethyl (4R,7S)-4-(2-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1016850

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 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) is 7-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCOc1ccccc1C1C(C(=O)Nc2ccccc2OC)=C(C)NC2=C1C(=O)CC(c1ccc(OC)c(OC)c1)C2.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is QWHSTXVMUMFHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O6/c1-6-42-27-13-9-7-11-23(27)32-31(34(38)36-24-12-8-10-14-28(24)39-3)20(2)35-25-17-22(18-26(37)33(25)32)21-15-16-29(40-4)30(19-21)41-5/h7-16,19,22,32,35H,6,17-18H2,1-5H3,(H,36,38).
What are the key properties of 7-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
7-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 568.67 g/mol, XLogP of 6.11, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 17379921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).