ethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate

C18H17FN2O3 — CID 54333219

IUPACethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)C1C(C)=Nc2cc[nH]c(=O)c2C1c1ccccc1F
InChIInChI=1S/C18H17FN2O3/c1-3-24-18(23)14-10(2)21-13-8-9-20-17(22)16(13)15(14)11-6-4-5-7-12(11)19/h4-9,14-15H,3H2,1-2H3,(H,20,22)
InChIKeySZUFVOWTFDTRPS-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.93
Rot. Bonds3

About ethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate

ethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate (PubChem CID 54333219) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is ethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate
PubChem CID54333219
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Nameethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)C1C(C)=Nc2cc[nH]c(=O)c2C1c1ccccc1F
InChIInChI=1S/C18H17FN2O3/c1-3-24-18(23)14-10(2)21-13-8-9-20-17(22)16(13)15(14)11-6-4-5-7-12(11)19/h4-9,14-15H,3H2,1-2H3,(H,20,22)
InChIKeySZUFVOWTFDTRPS-UHFFFAOYSA-N
XLogP2.93
TPSA71.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 4-(2-fluorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 91273068
methyl 4-(2-fluorophenyl)-2-methyl-5-propan-2-yloxy-3,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 54561837
ethyl (4R,7S)-4-(2-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7089906
sodium 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carboxylate
CID 70443924
ethyl 5-cyano-4-(2-fluorophenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
CID 2909382
ethyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-6-propyl-3,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 54560388
ethyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-3,4,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylate
CID 54550303
diethyl 4-(2,4-difluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 91937169
ethyl 6-(2-bromophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91210558
[(2R)-oxolan-2-yl]methyl (4R)-4-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6960058
ethyl (4S)-2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6961473
2-phenoxyethyl (4R)-4-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7089670

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate (CID 54333219) is ethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate is CCOC(=O)C1C(C)=Nc2cc[nH]c(=O)c2C1c1ccccc1F.
What is the InChIKey of ethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate?
The InChIKey is SZUFVOWTFDTRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-3-24-18(23)14-10(2)21-13-8-9-20-17(22)16(13)15(14)11-6-4-5-7-12(11)19/h4-9,14-15H,3H2,1-2H3,(H,20,22).
What are the key properties of ethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate?
ethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate has a molecular weight of 328.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 54333219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).