[2-(4-chlorophenyl)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C20H17ClN2O4 — CID 3982734

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H17ClN2O4/c1-3-23-10-16(18(25)15-9-4-12(2)22-19(15)23)20(26)27-11-17(24)13-5-7-14(21)8-6-13/h4-10H,3,11H2,1-2H3
InChIKeyUEYSGYODZXIAGB-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.42
Rot. Bonds5

About [2-(4-chlorophenyl)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

[2-(4-chlorophenyl)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 3982734) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID3982734
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H17ClN2O4/c1-3-23-10-16(18(25)15-9-4-12(2)22-19(15)23)20(26)27-11-17(24)13-5-7-14(21)8-6-13/h4-10H,3,11H2,1-2H3
InChIKeyUEYSGYODZXIAGB-UHFFFAOYSA-N
XLogP3.42
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 3982734) is [2-(4-chlorophenyl)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCn1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)c(=O)c2ccc(C)nc21.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is UEYSGYODZXIAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-3-23-10-16(18(25)15-9-4-12(2)22-19(15)23)20(26)27-11-17(24)13-5-7-14(21)8-6-13/h4-10H,3,11H2,1-2H3.
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
[2-(4-chlorophenyl)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 384.82 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 3982734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).