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

C12H13N3O3 — CID 12818614

IUPACethyl 4-amino-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N)c2cccnc2n(C)c1=O
InChIInChI=1S/C12H13N3O3/c1-3-18-12(17)8-9(13)7-5-4-6-14-10(7)15(2)11(8)16/h4-6H,3,13H2,1-2H3
InChIKeyVUWDSLHJYULRGQ-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.69
Rot. Bonds2

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

ethyl 4-amino-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 12818614) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is ethyl 4-amino-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID12818614
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Nameethyl 4-amino-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N)c2cccnc2n(C)c1=O
InChIInChI=1S/C12H13N3O3/c1-3-18-12(17)8-9(13)7-5-4-6-14-10(7)15(2)11(8)16/h4-6H,3,13H2,1-2H3
InChIKeyVUWDSLHJYULRGQ-UHFFFAOYSA-N
XLogP0.69
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-amino-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate (CID 12818614) is ethyl 4-amino-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-amino-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(N)c2cccnc2n(C)c1=O.
What is the InChIKey of ethyl 4-amino-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is VUWDSLHJYULRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-3-18-12(17)8-9(13)7-5-4-6-14-10(7)15(2)11(8)16/h4-6H,3,13H2,1-2H3.
What are the key properties of ethyl 4-amino-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 4-amino-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 12818614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).