dimethyl 4-(4-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

C15H14ClNO4 — CID 715615

IUPACdimethyl 4-(4-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CNC=C(C(=O)OC)C1c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO4/c1-20-14(18)11-7-17-8-12(15(19)21-2)13(11)9-3-5-10(16)6-4-9/h3-8,13,17H,1-2H3
InChIKeyJYEPINIBVFPXMB-UHFFFAOYSA-N
MW307.73 g/mol
LogP2.14
Rot. Bonds3

About dimethyl 4-(4-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 4-(4-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 715615) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is dimethyl 4-(4-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(4-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID715615
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Namedimethyl 4-(4-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CNC=C(C(=O)OC)C1c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO4/c1-20-14(18)11-7-17-8-12(15(19)21-2)13(11)9-3-5-10(16)6-4-9/h3-8,13,17H,1-2H3
InChIKeyJYEPINIBVFPXMB-UHFFFAOYSA-N
XLogP2.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Dimethyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 737062
Diethyl 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 285815
Dimethyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 704258
Dimethyl 4-(4-chlorophenyl)-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 625873
p-Cl-Amlodipine
CID 12112308
Dimethyl 4-(2-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 299857
diethyl 4-(4-chlorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
CID 325406
Dimethyl 4-(3,4-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 607323
Dimethyl 4-(2-chlorophenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 610962
4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
CID 2052604
Dimethyl 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 726133
Dimethyl 4-(2-chlorophenyl)-1-(2-methoxyethyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 2169339

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(4-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(4-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CID 715615) is dimethyl 4-(4-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(4-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(4-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=CNC=C(C(=O)OC)C1c1ccc(Cl)cc1.
What is the InChIKey of dimethyl 4-(4-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is JYEPINIBVFPXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-20-14(18)11-7-17-8-12(15(19)21-2)13(11)9-3-5-10(16)6-4-9/h3-8,13,17H,1-2H3.
What are the key properties of dimethyl 4-(4-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 4-(4-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 307.73 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(4-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 715615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).