4-(1-quinolin-4-ylpiperidin-3-yl)benzene-1,2-diol

C20H20N2O2 — CID 56840766

IUPAC4-(1-quinolin-4-ylpiperidin-3-yl)benzene-1,2-diol
SMILESOc1ccc(C2CCCN(c3ccnc4ccccc34)C2)cc1O
InChIInChI=1S/C20H20N2O2/c23-19-8-7-14(12-20(19)24)15-4-3-11-22(13-15)18-9-10-21-17-6-2-1-5-16(17)18/h1-2,5-10,12,15,23-24H,3-4,11,13H2
InChIKeyIQMLRQKODHMLSS-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.03
Rot. Bonds2

About 4-(1-quinolin-4-ylpiperidin-3-yl)benzene-1,2-diol

4-(1-quinolin-4-ylpiperidin-3-yl)benzene-1,2-diol (PubChem CID 56840766) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-(1-quinolin-4-ylpiperidin-3-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(1-quinolin-4-ylpiperidin-3-yl)benzene-1,2-diol
PubChem CID56840766
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-(1-quinolin-4-ylpiperidin-3-yl)benzene-1,2-diol
SMILESOc1ccc(C2CCCN(c3ccnc4ccccc34)C2)cc1O
InChIInChI=1S/C20H20N2O2/c23-19-8-7-14(12-20(19)24)15-4-3-11-22(13-15)18-9-10-21-17-6-2-1-5-16(17)18/h1-2,5-10,12,15,23-24H,3-4,11,13H2
InChIKeyIQMLRQKODHMLSS-UHFFFAOYSA-N
XLogP4.03
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.03
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-(1-quinolin-4-ylpiperidin-3-yl)benzene-1,2-diol?
The IUPAC name of 4-(1-quinolin-4-ylpiperidin-3-yl)benzene-1,2-diol (CID 56840766) is 4-(1-quinolin-4-ylpiperidin-3-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(1-quinolin-4-ylpiperidin-3-yl)benzene-1,2-diol?
The canonical SMILES for 4-(1-quinolin-4-ylpiperidin-3-yl)benzene-1,2-diol is Oc1ccc(C2CCCN(c3ccnc4ccccc34)C2)cc1O.
What is the InChIKey of 4-(1-quinolin-4-ylpiperidin-3-yl)benzene-1,2-diol?
The InChIKey is IQMLRQKODHMLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19-8-7-14(12-20(19)24)15-4-3-11-22(13-15)18-9-10-21-17-6-2-1-5-16(17)18/h1-2,5-10,12,15,23-24H,3-4,11,13H2.
What are the key properties of 4-(1-quinolin-4-ylpiperidin-3-yl)benzene-1,2-diol?
4-(1-quinolin-4-ylpiperidin-3-yl)benzene-1,2-diol has a molecular weight of 320.39 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-quinolin-4-ylpiperidin-3-yl)benzene-1,2-diol is sourced from PubChem (CID 56840766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).