4-[(4-aminophenyl)-hydroxymethyl]quinolin-7-ol

C16H14N2O2 — CID 143321121

IUPAC4-[(4-aminophenyl)-hydroxymethyl]quinolin-7-ol
SMILESNc1ccc(C(O)c2ccnc3cc(O)ccc23)cc1
InChIInChI=1S/C16H14N2O2/c17-11-3-1-10(2-4-11)16(20)14-7-8-18-15-9-12(19)5-6-13(14)15/h1-9,16,19-20H,17H2
InChIKeyJYALZOQMKRZQKO-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.60
Rot. Bonds2

About 4-[(4-aminophenyl)-hydroxymethyl]quinolin-7-ol

4-[(4-aminophenyl)-hydroxymethyl]quinolin-7-ol (PubChem CID 143321121) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(4-aminophenyl)-hydroxymethyl]quinolin-7-ol.

Molecular Properties

Compound Name4-[(4-aminophenyl)-hydroxymethyl]quinolin-7-ol
PubChem CID143321121
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-[(4-aminophenyl)-hydroxymethyl]quinolin-7-ol
SMILESNc1ccc(C(O)c2ccnc3cc(O)ccc23)cc1
InChIInChI=1S/C16H14N2O2/c17-11-3-1-10(2-4-11)16(20)14-7-8-18-15-9-12(19)5-6-13(14)15/h1-9,16,19-20H,17H2
InChIKeyJYALZOQMKRZQKO-UHFFFAOYSA-N
XLogP2.60
TPSA79.37 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 ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)-hydroxymethyl]quinolin-7-ol?
The IUPAC name of 4-[(4-aminophenyl)-hydroxymethyl]quinolin-7-ol (CID 143321121) is 4-[(4-aminophenyl)-hydroxymethyl]quinolin-7-ol.
What is the SMILES notation for 4-[(4-aminophenyl)-hydroxymethyl]quinolin-7-ol?
The canonical SMILES for 4-[(4-aminophenyl)-hydroxymethyl]quinolin-7-ol is Nc1ccc(C(O)c2ccnc3cc(O)ccc23)cc1.
What is the InChIKey of 4-[(4-aminophenyl)-hydroxymethyl]quinolin-7-ol?
The InChIKey is JYALZOQMKRZQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c17-11-3-1-10(2-4-11)16(20)14-7-8-18-15-9-12(19)5-6-13(14)15/h1-9,16,19-20H,17H2.
What are the key properties of 4-[(4-aminophenyl)-hydroxymethyl]quinolin-7-ol?
4-[(4-aminophenyl)-hydroxymethyl]quinolin-7-ol has a molecular weight of 266.30 g/mol, XLogP of 2.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)-hydroxymethyl]quinolin-7-ol is sourced from PubChem (CID 143321121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).