4-(3,4-dimethoxyphenyl)-6-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydropyridine-3-carboxylic acid

C18H19NO7 — CID 57075019

IUPAC4-(3,4-dimethoxyphenyl)-6-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydropyridine-3-carboxylic acid
SMILESCOC(=O)C1=C(C=O)N=C(C)C(C(=O)O)C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H19NO7/c1-9-14(17(21)22)15(16(18(23)26-4)11(8-20)19-9)10-5-6-12(24-2)13(7-10)25-3/h5-8,14-15H,1-4H3,(H,21,22)
InChIKeyMGQNJJRDRUGKNT-UHFFFAOYSA-N
MW361.35 g/mol
LogP1.59
Rot. Bonds6

About 4-(3,4-dimethoxyphenyl)-6-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydropyridine-3-carboxylic acid

4-(3,4-dimethoxyphenyl)-6-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydropyridine-3-carboxylic acid (PubChem CID 57075019) has the molecular formula C18H19NO7 and a molecular weight of 361.35 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-6-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-6-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydropyridine-3-carboxylic acid
PubChem CID57075019
Molecular FormulaC18H19NO7
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC Name4-(3,4-dimethoxyphenyl)-6-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydropyridine-3-carboxylic acid
SMILESCOC(=O)C1=C(C=O)N=C(C)C(C(=O)O)C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H19NO7/c1-9-14(17(21)22)15(16(18(23)26-4)11(8-20)19-9)10-5-6-12(24-2)13(7-10)25-3/h5-8,14-15H,1-4H3,(H,21,22)
InChIKeyMGQNJJRDRUGKNT-UHFFFAOYSA-N
XLogP1.59
TPSA111.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-(3,4-dimethoxyphenyl)-6-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydropyridine-3-carboxylic acid 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

dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;hydrate
CID 51056928
methyl (4S,7R)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6968617
methyl (4S,7S)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6968619
dimethyl 4-(2-cyanophenyl)-6-formyl-2-methyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 57037509
methyl (7S)-7-(3,4-dimethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 694084
dimethyl 4-(3,4-dichlorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 78460235
methyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
CID 3103530
methyl 5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2958196
5-O-ethyl 3-O-methyl 4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 54092006
dimethyl (4R)-4-(4-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 6925959
methyl (4S,7R)-7-(3,4-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7894920
methyl (4R)-4-(4-methoxy-3-methylphenyl)-2-methyl-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 7313169

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-6-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydropyridine-3-carboxylic acid?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-6-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydropyridine-3-carboxylic acid (CID 57075019) is 4-(3,4-dimethoxyphenyl)-6-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydropyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-6-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydropyridine-3-carboxylic acid?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-6-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydropyridine-3-carboxylic acid is COC(=O)C1=C(C=O)N=C(C)C(C(=O)O)C1c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-6-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydropyridine-3-carboxylic acid?
The InChIKey is MGQNJJRDRUGKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO7/c1-9-14(17(21)22)15(16(18(23)26-4)11(8-20)19-9)10-5-6-12(24-2)13(7-10)25-3/h5-8,14-15H,1-4H3,(H,21,22).
What are the key properties of 4-(3,4-dimethoxyphenyl)-6-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydropyridine-3-carboxylic acid?
4-(3,4-dimethoxyphenyl)-6-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydropyridine-3-carboxylic acid has a molecular weight of 361.35 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-6-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydropyridine-3-carboxylic acid is sourced from PubChem (CID 57075019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).