ethyl 6-(4-fluorophenyl)-2-methyl-4-propan-2-yl-3,4-dihydropyridine-5-carboxylate

C18H22FNO2 — CID 54042851

IUPACethyl 6-(4-fluorophenyl)-2-methyl-4-propan-2-yl-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(F)cc2)N=C(C)CC1C(C)C
InChIInChI=1S/C18H22FNO2/c1-5-22-18(21)16-15(11(2)3)10-12(4)20-17(16)13-6-8-14(19)9-7-13/h6-9,11,15H,5,10H2,1-4H3
InChIKeyLNODDCRXYQGISO-UHFFFAOYSA-N
MW303.38 g/mol
LogP4.24
Rot. Bonds4

About ethyl 6-(4-fluorophenyl)-2-methyl-4-propan-2-yl-3,4-dihydropyridine-5-carboxylate

ethyl 6-(4-fluorophenyl)-2-methyl-4-propan-2-yl-3,4-dihydropyridine-5-carboxylate (PubChem CID 54042851) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is ethyl 6-(4-fluorophenyl)-2-methyl-4-propan-2-yl-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-fluorophenyl)-2-methyl-4-propan-2-yl-3,4-dihydropyridine-5-carboxylate
PubChem CID54042851
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Nameethyl 6-(4-fluorophenyl)-2-methyl-4-propan-2-yl-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(F)cc2)N=C(C)CC1C(C)C
InChIInChI=1S/C18H22FNO2/c1-5-22-18(21)16-15(11(2)3)10-12(4)20-17(16)13-6-8-14(19)9-7-13/h6-9,11,15H,5,10H2,1-4H3
InChIKeyLNODDCRXYQGISO-UHFFFAOYSA-N
XLogP4.24
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 6-(4-fluorophenyl)-2-methyl-4-propan-2-yl-3,4-dihydropyridine-5-carboxylate 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

2,6-Dimethyl-4-(2-phenylethenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
CID 54356682
4-(4-Fluorophenyl)-2-methyl-1,3-oxazin-6-one
CID 132519835
prop-2-enyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 78437757
Ethyl 2-(4-fluorophenyl)-6-methyl-4-propan-2-yl-1,4-dihydropyridine-3-carboxylate
CID 20081825
Ethyl 3-cyano-6-(4-fluorophenyl)-2-methyl-4-propan-2-yl-3,4-dihydropyridine-5-carboxylate
CID 53665137
Diethyl 2,6-dicyclopropyl-4-(4-fluorophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
CID 53681380
Diethyl 6-benzyl-4-(4-fluorophenyl)-2-propan-2-yl-3,4-dihydropyridine-3,5-dicarboxylate
CID 53789551
Ethyl 3-cyano-4-(4-fluorophenyl)-2-methyl-6-propan-2-yl-3,4-dihydropyridine-5-carboxylate
CID 53793460
Diethyl 4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3,4-dihydropyridine-3,5-dicarboxylate
CID 53814051
Dimethyl 4-(2-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 53904666
Methyl 4-(4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate
CID 54072040
Ethyl 5-cyano-6-(4-fluorophenyl)-2,4-di(propan-2-yl)-3,4-dihydropyridine-3-carboxylate
CID 54165733

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-fluorophenyl)-2-methyl-4-propan-2-yl-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 6-(4-fluorophenyl)-2-methyl-4-propan-2-yl-3,4-dihydropyridine-5-carboxylate (CID 54042851) is ethyl 6-(4-fluorophenyl)-2-methyl-4-propan-2-yl-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 6-(4-fluorophenyl)-2-methyl-4-propan-2-yl-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 6-(4-fluorophenyl)-2-methyl-4-propan-2-yl-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(c2ccc(F)cc2)N=C(C)CC1C(C)C.
What is the InChIKey of ethyl 6-(4-fluorophenyl)-2-methyl-4-propan-2-yl-3,4-dihydropyridine-5-carboxylate?
The InChIKey is LNODDCRXYQGISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-5-22-18(21)16-15(11(2)3)10-12(4)20-17(16)13-6-8-14(19)9-7-13/h6-9,11,15H,5,10H2,1-4H3.
What are the key properties of ethyl 6-(4-fluorophenyl)-2-methyl-4-propan-2-yl-3,4-dihydropyridine-5-carboxylate?
ethyl 6-(4-fluorophenyl)-2-methyl-4-propan-2-yl-3,4-dihydropyridine-5-carboxylate has a molecular weight of 303.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-fluorophenyl)-2-methyl-4-propan-2-yl-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 54042851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).