4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid

C11H11N3O3 — CID 12818617

IUPAC4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCn1c(=O)c(C(=O)O)c(N)c2cccnc21
InChIInChI=1S/C11H11N3O3/c1-2-14-9-6(4-3-5-13-9)8(12)7(10(14)15)11(16)17/h3-5H,2,12H2,1H3,(H,16,17)
InChIKeyASVXBGHDTOWGTD-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.70
Rot. Bonds2

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

4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 12818617) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID12818617
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCn1c(=O)c(C(=O)O)c(N)c2cccnc21
InChIInChI=1S/C11H11N3O3/c1-2-14-9-6(4-3-5-13-9)8(12)7(10(14)15)11(16)17/h3-5H,2,12H2,1H3,(H,16,17)
InChIKeyASVXBGHDTOWGTD-UHFFFAOYSA-N
XLogP0.70
TPSA98.21 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 ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid (CID 12818617) is 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid is CCn1c(=O)c(C(=O)O)c(N)c2cccnc21.
What is the InChIKey of 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is ASVXBGHDTOWGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-2-14-9-6(4-3-5-13-9)8(12)7(10(14)15)11(16)17/h3-5H,2,12H2,1H3,(H,16,17).
What are the key properties of 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid?
4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 12818617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).