phenacyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C20H18N2O4 — CID 1324867

IUPACphenacyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OCC(=O)c2ccccc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H18N2O4/c1-3-22-11-16(18(24)15-10-9-13(2)21-19(15)22)20(25)26-12-17(23)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3
InChIKeyJGJYPRPWIFJOCT-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.76
Rot. Bonds5

About phenacyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

phenacyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 1324867) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is phenacyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namephenacyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID1324867
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Namephenacyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OCC(=O)c2ccccc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H18N2O4/c1-3-22-11-16(18(24)15-10-9-13(2)21-19(15)22)20(25)26-12-17(23)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3
InChIKeyJGJYPRPWIFJOCT-UHFFFAOYSA-N
XLogP2.76
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of phenacyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of phenacyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 1324867) is phenacyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for phenacyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for phenacyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCn1cc(C(=O)OCC(=O)c2ccccc2)c(=O)c2ccc(C)nc21.
What is the InChIKey of phenacyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is JGJYPRPWIFJOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-3-22-11-16(18(24)15-10-9-13(2)21-19(15)22)20(25)26-12-17(23)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3.
What are the key properties of phenacyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
phenacyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 1324867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).