2-cyclopentyl-5-oxidofuro[2,3-c]quinolin-5-ium

C16H15NO2 — CID 118174562

IUPAC2-cyclopentyl-5-oxidofuro[2,3-c]quinolin-5-ium
SMILES[O-][n+]1cc2oc(C3CCCC3)cc2c2ccccc21
InChIInChI=1S/C16H15NO2/c18-17-10-16-13(12-7-3-4-8-14(12)17)9-15(19-16)11-5-1-2-6-11/h3-4,7-11H,1-2,5-6H2
InChIKeyHLJIMMIYWNRLEW-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.88
Rot. Bonds1

About 2-cyclopentyl-5-oxidofuro[2,3-c]quinolin-5-ium

2-cyclopentyl-5-oxidofuro[2,3-c]quinolin-5-ium (PubChem CID 118174562) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-cyclopentyl-5-oxidofuro[2,3-c]quinolin-5-ium.

Molecular Properties

Compound Name2-cyclopentyl-5-oxidofuro[2,3-c]quinolin-5-ium
PubChem CID118174562
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-cyclopentyl-5-oxidofuro[2,3-c]quinolin-5-ium
SMILES[O-][n+]1cc2oc(C3CCCC3)cc2c2ccccc21
InChIInChI=1S/C16H15NO2/c18-17-10-16-13(12-7-3-4-8-14(12)17)9-15(19-16)11-5-1-2-6-11/h3-4,7-11H,1-2,5-6H2
InChIKeyHLJIMMIYWNRLEW-UHFFFAOYSA-N
XLogP3.88
TPSA40.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-oxidofuro[2,3-c]quinolin-5-ium?
The IUPAC name of 2-cyclopentyl-5-oxidofuro[2,3-c]quinolin-5-ium (CID 118174562) is 2-cyclopentyl-5-oxidofuro[2,3-c]quinolin-5-ium.
What is the SMILES notation for 2-cyclopentyl-5-oxidofuro[2,3-c]quinolin-5-ium?
The canonical SMILES for 2-cyclopentyl-5-oxidofuro[2,3-c]quinolin-5-ium is [O-][n+]1cc2oc(C3CCCC3)cc2c2ccccc21.
What is the InChIKey of 2-cyclopentyl-5-oxidofuro[2,3-c]quinolin-5-ium?
The InChIKey is HLJIMMIYWNRLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-17-10-16-13(12-7-3-4-8-14(12)17)9-15(19-16)11-5-1-2-6-11/h3-4,7-11H,1-2,5-6H2.
What are the key properties of 2-cyclopentyl-5-oxidofuro[2,3-c]quinolin-5-ium?
2-cyclopentyl-5-oxidofuro[2,3-c]quinolin-5-ium has a molecular weight of 253.30 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-oxidofuro[2,3-c]quinolin-5-ium is sourced from PubChem (CID 118174562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).