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

C16H13NO3 — CID 135741208

IUPAC4-(4-methoxyquinolin-2-yl)benzene-1,2-diol
SMILESCOc1cc(-c2ccc(O)c(O)c2)nc2ccccc12
InChIInChI=1S/C16H13NO3/c1-20-16-9-13(10-6-7-14(18)15(19)8-10)17-12-5-3-2-4-11(12)16/h2-9,18-19H,1H3
InChIKeyGSERYDSLYCHJAD-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.32
Rot. Bonds2

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

4-(4-methoxyquinolin-2-yl)benzene-1,2-diol (PubChem CID 135741208) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-(4-methoxyquinolin-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(4-methoxyquinolin-2-yl)benzene-1,2-diol
PubChem CID135741208
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name4-(4-methoxyquinolin-2-yl)benzene-1,2-diol
SMILESCOc1cc(-c2ccc(O)c(O)c2)nc2ccccc12
InChIInChI=1S/C16H13NO3/c1-20-16-9-13(10-6-7-14(18)15(19)8-10)17-12-5-3-2-4-11(12)16/h2-9,18-19H,1H3
InChIKeyGSERYDSLYCHJAD-UHFFFAOYSA-N
XLogP3.32
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.32
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-methoxyquinolin-2-yl)benzene-1,2-diol?
The IUPAC name of 4-(4-methoxyquinolin-2-yl)benzene-1,2-diol (CID 135741208) is 4-(4-methoxyquinolin-2-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(4-methoxyquinolin-2-yl)benzene-1,2-diol?
The canonical SMILES for 4-(4-methoxyquinolin-2-yl)benzene-1,2-diol is COc1cc(-c2ccc(O)c(O)c2)nc2ccccc12.
What is the InChIKey of 4-(4-methoxyquinolin-2-yl)benzene-1,2-diol?
The InChIKey is GSERYDSLYCHJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-20-16-9-13(10-6-7-14(18)15(19)8-10)17-12-5-3-2-4-11(12)16/h2-9,18-19H,1H3.
What are the key properties of 4-(4-methoxyquinolin-2-yl)benzene-1,2-diol?
4-(4-methoxyquinolin-2-yl)benzene-1,2-diol has a molecular weight of 267.28 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyquinolin-2-yl)benzene-1,2-diol is sourced from PubChem (CID 135741208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).