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

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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).