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

C18H22FNO2 — CID 54253706

IUPACethyl 4-(4-fluorophenyl)-2-methyl-6-propan-2-yl-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C(C)C)N=C(C)CC1c1ccc(F)cc1
InChIInChI=1S/C18H22FNO2/c1-5-22-18(21)16-15(13-6-8-14(19)9-7-13)10-12(4)20-17(16)11(2)3/h6-9,11,15H,5,10H2,1-4H3
InChIKeyQYODHGFTVOPOQE-UHFFFAOYSA-N
MW303.38 g/mol
LogP4.25
Rot. Bonds4

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

ethyl 4-(4-fluorophenyl)-2-methyl-6-propan-2-yl-3,4-dihydropyridine-5-carboxylate (PubChem CID 54253706) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-2-methyl-6-propan-2-yl-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-2-methyl-6-propan-2-yl-3,4-dihydropyridine-5-carboxylate
PubChem CID54253706
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Nameethyl 4-(4-fluorophenyl)-2-methyl-6-propan-2-yl-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C(C)C)N=C(C)CC1c1ccc(F)cc1
InChIInChI=1S/C18H22FNO2/c1-5-22-18(21)16-15(13-6-8-14(19)9-7-13)10-12(4)20-17(16)11(2)3/h6-9,11,15H,5,10H2,1-4H3
InChIKeyQYODHGFTVOPOQE-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diethyl 1,4-dihydro-2,6-dimethyl-4-(4-fluorophenyl)-3,5-pyridinedicarboxylate
CID 680274
Diethyl 4-(2,3-difluorophenyl)-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
CID 46888217
3-O-methyl 5-O-(2-methylpropyl) 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 44334386
CID 46888218
CID 46888218
Diethyl 4-(2-fluorophenyl)-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
CID 782085
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluorophenyl)-, methyl 2-propenyl ester
CID 217748
Diethyl 4-(2-fluorophenyl)-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 1515817
Diethyl 4-(3-fluorophenyl)-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
CID 3249133
Dimethyl 4-(3-fluorophenyl)-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 742893
Diethyl 1,4-dihydro-2,6-diisopropyl-4-(4-fluorophenyl)pyridine-3,5-dicarboxylate
CID 11661355
ethyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxylate
CID 135006136
Diethyl 2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 53648057

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-2-methyl-6-propan-2-yl-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-2-methyl-6-propan-2-yl-3,4-dihydropyridine-5-carboxylate (CID 54253706) is ethyl 4-(4-fluorophenyl)-2-methyl-6-propan-2-yl-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-2-methyl-6-propan-2-yl-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-2-methyl-6-propan-2-yl-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(C(C)C)N=C(C)CC1c1ccc(F)cc1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-2-methyl-6-propan-2-yl-3,4-dihydropyridine-5-carboxylate?
The InChIKey is QYODHGFTVOPOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-5-22-18(21)16-15(13-6-8-14(19)9-7-13)10-12(4)20-17(16)11(2)3/h6-9,11,15H,5,10H2,1-4H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-2-methyl-6-propan-2-yl-3,4-dihydropyridine-5-carboxylate?
ethyl 4-(4-fluorophenyl)-2-methyl-6-propan-2-yl-3,4-dihydropyridine-5-carboxylate has a molecular weight of 303.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-2-methyl-6-propan-2-yl-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 54253706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).