2-(4-hydroxyanilino)-4-methylquinolin-5-ol

C16H14N2O2 — CID 135609778

IUPAC2-(4-hydroxyanilino)-4-methylquinolin-5-ol
SMILESCc1cc(Nc2ccc(O)cc2)nc2cccc(O)c12
InChIInChI=1S/C16H14N2O2/c1-10-9-15(17-11-5-7-12(19)8-6-11)18-13-3-2-4-14(20)16(10)13/h2-9,19-20H,1H3,(H,17,18)
InChIKeyIBOIAYSPKCNOGZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.70
Rot. Bonds2

About 2-(4-hydroxyanilino)-4-methylquinolin-5-ol

2-(4-hydroxyanilino)-4-methylquinolin-5-ol (PubChem CID 135609778) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-hydroxyanilino)-4-methylquinolin-5-ol.

Molecular Properties

Compound Name2-(4-hydroxyanilino)-4-methylquinolin-5-ol
PubChem CID135609778
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(4-hydroxyanilino)-4-methylquinolin-5-ol
SMILESCc1cc(Nc2ccc(O)cc2)nc2cccc(O)c12
InChIInChI=1S/C16H14N2O2/c1-10-9-15(17-11-5-7-12(19)8-6-11)18-13-3-2-4-14(20)16(10)13/h2-9,19-20H,1H3,(H,17,18)
InChIKeyIBOIAYSPKCNOGZ-UHFFFAOYSA-N
XLogP3.70
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyanilino)-4-methylquinolin-5-ol?
The IUPAC name of 2-(4-hydroxyanilino)-4-methylquinolin-5-ol (CID 135609778) is 2-(4-hydroxyanilino)-4-methylquinolin-5-ol.
What is the SMILES notation for 2-(4-hydroxyanilino)-4-methylquinolin-5-ol?
The canonical SMILES for 2-(4-hydroxyanilino)-4-methylquinolin-5-ol is Cc1cc(Nc2ccc(O)cc2)nc2cccc(O)c12.
What is the InChIKey of 2-(4-hydroxyanilino)-4-methylquinolin-5-ol?
The InChIKey is IBOIAYSPKCNOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-9-15(17-11-5-7-12(19)8-6-11)18-13-3-2-4-14(20)16(10)13/h2-9,19-20H,1H3,(H,17,18).
What are the key properties of 2-(4-hydroxyanilino)-4-methylquinolin-5-ol?
2-(4-hydroxyanilino)-4-methylquinolin-5-ol has a molecular weight of 266.30 g/mol, XLogP of 3.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyanilino)-4-methylquinolin-5-ol is sourced from PubChem (CID 135609778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).