ethyl 4-chloro-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate

C12H11ClN2O3 — CID 12818606

IUPACethyl 4-chloro-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)c2cccnc2n(C)c1=O
InChIInChI=1S/C12H11ClN2O3/c1-3-18-12(17)8-9(13)7-5-4-6-14-10(7)15(2)11(8)16/h4-6H,3H2,1-2H3
InChIKeyQXSPIWPYGCEJFI-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.76
Rot. Bonds2

About ethyl 4-chloro-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate

ethyl 4-chloro-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 12818606) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is ethyl 4-chloro-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID12818606
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Nameethyl 4-chloro-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)c2cccnc2n(C)c1=O
InChIInChI=1S/C12H11ClN2O3/c1-3-18-12(17)8-9(13)7-5-4-6-14-10(7)15(2)11(8)16/h4-6H,3H2,1-2H3
InChIKeyQXSPIWPYGCEJFI-UHFFFAOYSA-N
XLogP1.76
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-chloro-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate (CID 12818606) is ethyl 4-chloro-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(Cl)c2cccnc2n(C)c1=O.
What is the InChIKey of ethyl 4-chloro-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is QXSPIWPYGCEJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-3-18-12(17)8-9(13)7-5-4-6-14-10(7)15(2)11(8)16/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 4-chloro-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 4-chloro-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 266.68 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 12818606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).