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

C11H11N3O3 — CID 12818603

IUPACethyl 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N)c2cccnc2[nH]c1=O
InChIInChI=1S/C11H11N3O3/c1-2-17-11(16)7-8(12)6-4-3-5-13-9(6)14-10(7)15/h3-5H,2H2,1H3,(H3,12,13,14,15)
InChIKeyDNKZOLRBQNLTRJ-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.68
Rot. Bonds2

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

ethyl 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 12818603) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is ethyl 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylate
PubChem CID12818603
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Nameethyl 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N)c2cccnc2[nH]c1=O
InChIInChI=1S/C11H11N3O3/c1-2-17-11(16)7-8(12)6-4-3-5-13-9(6)14-10(7)15/h3-5H,2H2,1H3,(H3,12,13,14,15)
InChIKeyDNKZOLRBQNLTRJ-UHFFFAOYSA-N
XLogP0.68
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylate (CID 12818603) is ethyl 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(N)c2cccnc2[nH]c1=O.
What is the InChIKey of ethyl 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The InChIKey is DNKZOLRBQNLTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-2-17-11(16)7-8(12)6-4-3-5-13-9(6)14-10(7)15/h3-5H,2H2,1H3,(H3,12,13,14,15).
What are the key properties of ethyl 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
ethyl 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 233.23 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 12818603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).