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

C13H14N2O3 — CID 604668

IUPACmethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OC)c(=O)c2ccc(C)nc21
InChIInChI=1S/C13H14N2O3/c1-4-15-7-10(13(17)18-3)11(16)9-6-5-8(2)14-12(9)15/h5-7H,4H2,1-3H3
InChIKeyHAXZNPSPJMKMIQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.51
Rot. Bonds2

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

methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 604668) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID604668
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OC)c(=O)c2ccc(C)nc21
InChIInChI=1S/C13H14N2O3/c1-4-15-7-10(13(17)18-3)11(16)9-6-5-8(2)14-12(9)15/h5-7H,4H2,1-3H3
InChIKeyHAXZNPSPJMKMIQ-UHFFFAOYSA-N
XLogP1.51
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 604668) is methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCn1cc(C(=O)OC)c(=O)c2ccc(C)nc21.
What is the InChIKey of methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is HAXZNPSPJMKMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-4-15-7-10(13(17)18-3)11(16)9-6-5-8(2)14-12(9)15/h5-7H,4H2,1-3H3.
What are the key properties of methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 604668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).