3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one

C21H28N2O2 — CID 123992272

IUPAC3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one
SMILESO=c1[nH]c2cc(OC3CC3)ccc2nc1CCCCCC1CCCC1
InChIInChI=1S/C21H28N2O2/c24-21-19(9-3-1-2-6-15-7-4-5-8-15)22-18-13-12-17(14-20(18)23-21)25-16-10-11-16/h12-16H,1-11H2,(H,23,24)
InChIKeyBPJGYAGOZXRZAK-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.76
Rot. Bonds8

About 3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one

3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one (PubChem CID 123992272) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one
PubChem CID123992272
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one
SMILESO=c1[nH]c2cc(OC3CC3)ccc2nc1CCCCCC1CCCC1
InChIInChI=1S/C21H28N2O2/c24-21-19(9-3-1-2-6-15-7-4-5-8-15)22-18-13-12-17(14-20(18)23-21)25-16-10-11-16/h12-16H,1-11H2,(H,23,24)
InChIKeyBPJGYAGOZXRZAK-UHFFFAOYSA-N
XLogP4.76
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one?
The IUPAC name of 3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one (CID 123992272) is 3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one?
The canonical SMILES for 3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one is O=c1[nH]c2cc(OC3CC3)ccc2nc1CCCCCC1CCCC1.
What is the InChIKey of 3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one?
The InChIKey is BPJGYAGOZXRZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c24-21-19(9-3-1-2-6-15-7-4-5-8-15)22-18-13-12-17(14-20(18)23-21)25-16-10-11-16/h12-16H,1-11H2,(H,23,24).
What are the key properties of 3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one?
3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one has a molecular weight of 340.47 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one is sourced from PubChem (CID 123992272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).