ethyl 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-oxo-1,5-naphthyridine-3-carboxylate

C24H19ClN2O3 — CID 90271881

IUPACethyl 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-oxo-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccccc2-c2ccc(Cl)cc2)c2cccnc2c1=O
InChIInChI=1S/C24H19ClN2O3/c1-2-30-24(29)20-15-27(21-8-5-13-26-22(21)23(20)28)14-17-6-3-4-7-19(17)16-9-11-18(25)12-10-16/h3-13,15H,2,14H2,1H3
InChIKeyGZKXTYUQHDDOQL-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.94
Rot. Bonds5

About ethyl 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-oxo-1,5-naphthyridine-3-carboxylate

ethyl 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-oxo-1,5-naphthyridine-3-carboxylate (PubChem CID 90271881) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is ethyl 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-oxo-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-oxo-1,5-naphthyridine-3-carboxylate
PubChem CID90271881
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC Nameethyl 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-oxo-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccccc2-c2ccc(Cl)cc2)c2cccnc2c1=O
InChIInChI=1S/C24H19ClN2O3/c1-2-30-24(29)20-15-27(21-8-5-13-26-22(21)23(20)28)14-17-6-3-4-7-19(17)16-9-11-18(25)12-10-16/h3-13,15H,2,14H2,1H3
InChIKeyGZKXTYUQHDDOQL-UHFFFAOYSA-N
XLogP4.94
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 138461804
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ethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
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CID 20940937
ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate
CID 54268736
ethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate
CID 11046411
ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-oxoquinoline-3-carboxylate
CID 122188100
ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
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ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 3932782
ethyl 1-[(4-bromophenyl)methyl]-5-fluoro-4-oxoquinoline-3-carboxylate
CID 135072615
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CID 118585777

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-oxo-1,5-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-oxo-1,5-naphthyridine-3-carboxylate (CID 90271881) is ethyl 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-oxo-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-oxo-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-oxo-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1cn(Cc2ccccc2-c2ccc(Cl)cc2)c2cccnc2c1=O.
What is the InChIKey of ethyl 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-oxo-1,5-naphthyridine-3-carboxylate?
The InChIKey is GZKXTYUQHDDOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c1-2-30-24(29)20-15-27(21-8-5-13-26-22(21)23(20)28)14-17-6-3-4-7-19(17)16-9-11-18(25)12-10-16/h3-13,15H,2,14H2,1H3.
What are the key properties of ethyl 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-oxo-1,5-naphthyridine-3-carboxylate?
ethyl 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-oxo-1,5-naphthyridine-3-carboxylate has a molecular weight of 418.88 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[2-(4-chlorophenyl)phenyl]methyl]-4-oxo-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 90271881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).