1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

C17H18N2O5 — CID 70240187

IUPAC1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCC(=O)OC1CCC(n2cc(C(=O)O)c(=O)c3cccnc32)CC1
InChIInChI=1S/C17H18N2O5/c1-10(20)24-12-6-4-11(5-7-12)19-9-14(17(22)23)15(21)13-3-2-8-18-16(13)19/h2-3,8-9,11-12H,4-7H2,1H3,(H,22,23)
InChIKeyWWNDFKSNEICRKN-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.14
Rot. Bonds3

About 1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 70240187) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID70240187
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCC(=O)OC1CCC(n2cc(C(=O)O)c(=O)c3cccnc32)CC1
InChIInChI=1S/C17H18N2O5/c1-10(20)24-12-6-4-11(5-7-12)19-9-14(17(22)23)15(21)13-3-2-8-18-16(13)19/h2-3,8-9,11-12H,4-7H2,1H3,(H,22,23)
InChIKeyWWNDFKSNEICRKN-UHFFFAOYSA-N
XLogP2.14
TPSA98.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 70240187) is 1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is CC(=O)OC1CCC(n2cc(C(=O)O)c(=O)c3cccnc32)CC1.
What is the InChIKey of 1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is WWNDFKSNEICRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-10(20)24-12-6-4-11(5-7-12)19-9-14(17(22)23)15(21)13-3-2-8-18-16(13)19/h2-3,8-9,11-12H,4-7H2,1H3,(H,22,23).
What are the key properties of 1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 70240187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).