4-(4-cyclopentyloxyquinolin-2-yl)benzene-1,2-diol

C20H19NO3 — CID 135741221

IUPAC4-(4-cyclopentyloxyquinolin-2-yl)benzene-1,2-diol
SMILESOc1ccc(-c2cc(OC3CCCC3)c3ccccc3n2)cc1O
InChIInChI=1S/C20H19NO3/c22-18-10-9-13(11-19(18)23)17-12-20(24-14-5-1-2-6-14)15-7-3-4-8-16(15)21-17/h3-4,7-12,14,22-23H,1-2,5-6H2
InChIKeyOMHNVUCFPJJLKD-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.63
Rot. Bonds3

About 4-(4-cyclopentyloxyquinolin-2-yl)benzene-1,2-diol

4-(4-cyclopentyloxyquinolin-2-yl)benzene-1,2-diol (PubChem CID 135741221) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(4-cyclopentyloxyquinolin-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(4-cyclopentyloxyquinolin-2-yl)benzene-1,2-diol
PubChem CID135741221
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name4-(4-cyclopentyloxyquinolin-2-yl)benzene-1,2-diol
SMILESOc1ccc(-c2cc(OC3CCCC3)c3ccccc3n2)cc1O
InChIInChI=1S/C20H19NO3/c22-18-10-9-13(11-19(18)23)17-12-20(24-14-5-1-2-6-14)15-7-3-4-8-16(15)21-17/h3-4,7-12,14,22-23H,1-2,5-6H2
InChIKeyOMHNVUCFPJJLKD-UHFFFAOYSA-N
XLogP4.63
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyloxyquinolin-2-yl)benzene-1,2-diol?
The IUPAC name of 4-(4-cyclopentyloxyquinolin-2-yl)benzene-1,2-diol (CID 135741221) is 4-(4-cyclopentyloxyquinolin-2-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(4-cyclopentyloxyquinolin-2-yl)benzene-1,2-diol?
The canonical SMILES for 4-(4-cyclopentyloxyquinolin-2-yl)benzene-1,2-diol is Oc1ccc(-c2cc(OC3CCCC3)c3ccccc3n2)cc1O.
What is the InChIKey of 4-(4-cyclopentyloxyquinolin-2-yl)benzene-1,2-diol?
The InChIKey is OMHNVUCFPJJLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c22-18-10-9-13(11-19(18)23)17-12-20(24-14-5-1-2-6-14)15-7-3-4-8-16(15)21-17/h3-4,7-12,14,22-23H,1-2,5-6H2.
What are the key properties of 4-(4-cyclopentyloxyquinolin-2-yl)benzene-1,2-diol?
4-(4-cyclopentyloxyquinolin-2-yl)benzene-1,2-diol has a molecular weight of 321.38 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyloxyquinolin-2-yl)benzene-1,2-diol is sourced from PubChem (CID 135741221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).