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

C13H15N3O3 — CID 12818632

IUPACethyl 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N)c2cccnc2n(CC)c1=O
InChIInChI=1S/C13H15N3O3/c1-3-16-11-8(6-5-7-15-11)10(14)9(12(16)17)13(18)19-4-2/h5-7H,3-4,14H2,1-2H3
InChIKeyXYVVIQBCIRDZOX-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.18
Rot. Bonds3

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

ethyl 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 12818632) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID12818632
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Nameethyl 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N)c2cccnc2n(CC)c1=O
InChIInChI=1S/C13H15N3O3/c1-3-16-11-8(6-5-7-15-11)10(14)9(12(16)17)13(18)19-4-2/h5-7H,3-4,14H2,1-2H3
InChIKeyXYVVIQBCIRDZOX-UHFFFAOYSA-N
XLogP1.18
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-amino-1-ethyl-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

Related Compounds

Methyl 5-bromo-6-oxo-1-pyridin-2-ylpyridine-3-carboxylate
CID 661113
Diethyl {[(3-methyl-2-pyridinyl)amino]methylene}malonate
CID 2267686
Methyl 2-imino-5-oxo-1-(3-pyridinylmethyl)-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxylate
CID 1077411
2-Oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylic acid
CID 17750172
Methyl 2-imino-10-methyl-5-oxo-1-(3-pyridinylmethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxylate
CID 660153
Methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate
CID 132990893
Ethyl 4-hydroxy-2-(2-pyridinyl)-5-pyrimidinecarboxylate
CID 2745857
Ethyl 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoate
CID 118719593
Ethyl 2-imino-10-methyl-5-oxo-1-(3-pyridinylmethyl)-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxylate
CID 660154
4-Amino-1,2-Dihydro-2-Oxo-1,8-Naphthyridine-3-Carboxylic Acid Ethyl Ester
CID 12818603
4-Amino-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylic acid
CID 12818604
4-Chloro-1,2-dihydro-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylic acid ethyl ester
CID 12818606

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate (CID 12818632) is ethyl 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(N)c2cccnc2n(CC)c1=O.
What is the InChIKey of ethyl 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is XYVVIQBCIRDZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-16-11-8(6-5-7-15-11)10(14)9(12(16)17)13(18)19-4-2/h5-7H,3-4,14H2,1-2H3.
What are the key properties of ethyl 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 12818632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).