4-[(E)-2-(8-aminoquinolin-2-yl)ethenyl]benzene-1,2-diol

C17H14N2O2 — CID 135504127

IUPAC4-[(E)-2-(8-aminoquinolin-2-yl)ethenyl]benzene-1,2-diol
SMILESNc1cccc2ccc(/C=C/c3ccc(O)c(O)c3)nc12
InChIInChI=1S/C17H14N2O2/c18-14-3-1-2-12-6-8-13(19-17(12)14)7-4-11-5-9-15(20)16(21)10-11/h1-10,20-21H,18H2/b7-4+
InChIKeyPIAVAJGOHKOQGW-QPJJXVBHSA-N
MW278.31 g/mol
LogP3.40
Rot. Bonds2

About 4-[(E)-2-(8-aminoquinolin-2-yl)ethenyl]benzene-1,2-diol

4-[(E)-2-(8-aminoquinolin-2-yl)ethenyl]benzene-1,2-diol (PubChem CID 135504127) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[(E)-2-(8-aminoquinolin-2-yl)ethenyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(E)-2-(8-aminoquinolin-2-yl)ethenyl]benzene-1,2-diol
PubChem CID135504127
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name4-[(E)-2-(8-aminoquinolin-2-yl)ethenyl]benzene-1,2-diol
SMILESNc1cccc2ccc(/C=C/c3ccc(O)c(O)c3)nc12
InChIInChI=1S/C17H14N2O2/c18-14-3-1-2-12-6-8-13(19-17(12)14)7-4-11-5-9-15(20)16(21)10-11/h1-10,20-21H,18H2/b7-4+
InChIKeyPIAVAJGOHKOQGW-QPJJXVBHSA-N
XLogP3.40
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(8-aminoquinolin-2-yl)ethenyl]benzene-1,2-diol?
The IUPAC name of 4-[(E)-2-(8-aminoquinolin-2-yl)ethenyl]benzene-1,2-diol (CID 135504127) is 4-[(E)-2-(8-aminoquinolin-2-yl)ethenyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(E)-2-(8-aminoquinolin-2-yl)ethenyl]benzene-1,2-diol?
The canonical SMILES for 4-[(E)-2-(8-aminoquinolin-2-yl)ethenyl]benzene-1,2-diol is Nc1cccc2ccc(/C=C/c3ccc(O)c(O)c3)nc12.
What is the InChIKey of 4-[(E)-2-(8-aminoquinolin-2-yl)ethenyl]benzene-1,2-diol?
The InChIKey is PIAVAJGOHKOQGW-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H14N2O2/c18-14-3-1-2-12-6-8-13(19-17(12)14)7-4-11-5-9-15(20)16(21)10-11/h1-10,20-21H,18H2/b7-4+.
What are the key properties of 4-[(E)-2-(8-aminoquinolin-2-yl)ethenyl]benzene-1,2-diol?
4-[(E)-2-(8-aminoquinolin-2-yl)ethenyl]benzene-1,2-diol has a molecular weight of 278.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(8-aminoquinolin-2-yl)ethenyl]benzene-1,2-diol is sourced from PubChem (CID 135504127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).