ethyl 4-(2-chlorophenyl)-2-oxo-1H-1,8-naphthyridine-3-carboxylate

C17H13ClN2O3 — CID 22105943

IUPACethyl 4-(2-chlorophenyl)-2-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2Cl)c2cccnc2[nH]c1=O
InChIInChI=1S/C17H13ClN2O3/c1-2-23-17(22)14-13(10-6-3-4-8-12(10)18)11-7-5-9-19-15(11)20-16(14)21/h3-9H,2H2,1H3,(H,19,20,21)
InChIKeyCONLGROEXMATJK-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.42
Rot. Bonds3

About ethyl 4-(2-chlorophenyl)-2-oxo-1H-1,8-naphthyridine-3-carboxylate

ethyl 4-(2-chlorophenyl)-2-oxo-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 22105943) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is ethyl 4-(2-chlorophenyl)-2-oxo-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-chlorophenyl)-2-oxo-1H-1,8-naphthyridine-3-carboxylate
PubChem CID22105943
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Nameethyl 4-(2-chlorophenyl)-2-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2Cl)c2cccnc2[nH]c1=O
InChIInChI=1S/C17H13ClN2O3/c1-2-23-17(22)14-13(10-6-3-4-8-12(10)18)11-7-5-9-19-15(11)20-16(14)21/h3-9H,2H2,1H3,(H,19,20,21)
InChIKeyCONLGROEXMATJK-UHFFFAOYSA-N
XLogP3.42
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-chlorophenyl)-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-(2-chlorophenyl)-2-oxo-1H-1,8-naphthyridine-3-carboxylate (CID 22105943) is ethyl 4-(2-chlorophenyl)-2-oxo-1H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-chlorophenyl)-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(2-chlorophenyl)-2-oxo-1H-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2Cl)c2cccnc2[nH]c1=O.
What is the InChIKey of ethyl 4-(2-chlorophenyl)-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The InChIKey is CONLGROEXMATJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-2-23-17(22)14-13(10-6-3-4-8-12(10)18)11-7-5-9-19-15(11)20-16(14)21/h3-9H,2H2,1H3,(H,19,20,21).
What are the key properties of ethyl 4-(2-chlorophenyl)-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
ethyl 4-(2-chlorophenyl)-2-oxo-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 328.76 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-chlorophenyl)-2-oxo-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 22105943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).