ethyl 4-(2-fluorophenyl)-7-methoxy-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

C20H22FNO4 — CID 24965646

IUPACethyl 4-(2-fluorophenyl)-7-methoxy-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCCOC(=O)C1=C(C)NC2=C(C(=O)CC(OC)C2)C1c1ccccc1F
InChIInChI=1S/C20H22FNO4/c1-4-26-20(24)17-11(2)22-15-9-12(25-3)10-16(23)19(15)18(17)13-7-5-6-8-14(13)21/h5-8,12,18,22H,4,9-10H2,1-3H3
InChIKeyFPJOYTKCNYSSRV-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.98
Rot. Bonds4

About ethyl 4-(2-fluorophenyl)-7-methoxy-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

ethyl 4-(2-fluorophenyl)-7-methoxy-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 24965646) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is ethyl 4-(2-fluorophenyl)-7-methoxy-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-fluorophenyl)-7-methoxy-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
PubChem CID24965646
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Nameethyl 4-(2-fluorophenyl)-7-methoxy-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCCOC(=O)C1=C(C)NC2=C(C(=O)CC(OC)C2)C1c1ccccc1F
InChIInChI=1S/C20H22FNO4/c1-4-26-20(24)17-11(2)22-15-9-12(25-3)10-16(23)19(15)18(17)13-7-5-6-8-14(13)21/h5-8,12,18,22H,4,9-10H2,1-3H3
InChIKeyFPJOYTKCNYSSRV-UHFFFAOYSA-N
XLogP2.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(2-fluorophenyl)-7-methoxy-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-phenyl-, ethyl ester
CID 202803
Diethyl 1,4-dihydro-2,6-dimethyl-4-(4-fluorophenyl)-3,5-pyridinedicarboxylate
CID 680274
Dipropan-2-yl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 987035
Propan-2-yl 7-(4-chlorophenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 3128858
Cyclohexyl 4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2864181
Methyl 4-(4-tert-butylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 3645030
10-(3-bromo-4-fluorophenyl)-4,5,6,7,8,10-hexahydro-3H-pyrano[4,3-b]quinoline-1,9-dione
CID 11188503
Ethyl 2,7,7-trimethyl-5-oxo-4-(4-phenylphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 44135961
Diethyl 4-(2,3-difluorophenyl)-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
CID 46888217
methyl 7-ethyl-2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 58512897
Ethyl 7,7-dimethyl-5-oxo-4-(4-phenylphenyl)-2-propyl-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 58512904
methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 71014144

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-fluorophenyl)-7-methoxy-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(2-fluorophenyl)-7-methoxy-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (CID 24965646) is ethyl 4-(2-fluorophenyl)-7-methoxy-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-fluorophenyl)-7-methoxy-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(2-fluorophenyl)-7-methoxy-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is CCOC(=O)C1=C(C)NC2=C(C(=O)CC(OC)C2)C1c1ccccc1F.
What is the InChIKey of ethyl 4-(2-fluorophenyl)-7-methoxy-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The InChIKey is FPJOYTKCNYSSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-4-26-20(24)17-11(2)22-15-9-12(25-3)10-16(23)19(15)18(17)13-7-5-6-8-14(13)21/h5-8,12,18,22H,4,9-10H2,1-3H3.
What are the key properties of ethyl 4-(2-fluorophenyl)-7-methoxy-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
ethyl 4-(2-fluorophenyl)-7-methoxy-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 359.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-fluorophenyl)-7-methoxy-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 24965646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).