[3-(6-bromo-2-methoxyquinolin-4-yl)phenyl]methanol

C17H14BrNO2 — CID 169292109

IUPAC[3-(6-bromo-2-methoxyquinolin-4-yl)phenyl]methanol
SMILESCOc1cc(-c2cccc(CO)c2)c2cc(Br)ccc2n1
InChIInChI=1S/C17H14BrNO2/c1-21-17-9-14(12-4-2-3-11(7-12)10-20)15-8-13(18)5-6-16(15)19-17/h2-9,20H,10H2,1H3
InChIKeyFHESYMLYKIYMTE-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.17
Rot. Bonds3

About [3-(6-bromo-2-methoxyquinolin-4-yl)phenyl]methanol

[3-(6-bromo-2-methoxyquinolin-4-yl)phenyl]methanol (PubChem CID 169292109) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is [3-(6-bromo-2-methoxyquinolin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(6-bromo-2-methoxyquinolin-4-yl)phenyl]methanol
PubChem CID169292109
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name[3-(6-bromo-2-methoxyquinolin-4-yl)phenyl]methanol
SMILESCOc1cc(-c2cccc(CO)c2)c2cc(Br)ccc2n1
InChIInChI=1S/C17H14BrNO2/c1-21-17-9-14(12-4-2-3-11(7-12)10-20)15-8-13(18)5-6-16(15)19-17/h2-9,20H,10H2,1H3
InChIKeyFHESYMLYKIYMTE-UHFFFAOYSA-N
XLogP4.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(6-bromo-2-methoxyquinolin-4-yl)phenyl]methanol?
The IUPAC name of [3-(6-bromo-2-methoxyquinolin-4-yl)phenyl]methanol (CID 169292109) is [3-(6-bromo-2-methoxyquinolin-4-yl)phenyl]methanol.
What is the SMILES notation for [3-(6-bromo-2-methoxyquinolin-4-yl)phenyl]methanol?
The canonical SMILES for [3-(6-bromo-2-methoxyquinolin-4-yl)phenyl]methanol is COc1cc(-c2cccc(CO)c2)c2cc(Br)ccc2n1.
What is the InChIKey of [3-(6-bromo-2-methoxyquinolin-4-yl)phenyl]methanol?
The InChIKey is FHESYMLYKIYMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-21-17-9-14(12-4-2-3-11(7-12)10-20)15-8-13(18)5-6-16(15)19-17/h2-9,20H,10H2,1H3.
What are the key properties of [3-(6-bromo-2-methoxyquinolin-4-yl)phenyl]methanol?
[3-(6-bromo-2-methoxyquinolin-4-yl)phenyl]methanol has a molecular weight of 344.21 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-bromo-2-methoxyquinolin-4-yl)phenyl]methanol is sourced from PubChem (CID 169292109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).