7-bromo-2-(oxan-4-yl)quinolin-3-ol

C14H14BrNO2 — CID 165487592

IUPAC7-bromo-2-(oxan-4-yl)quinolin-3-ol
SMILESOc1cc2ccc(Br)cc2nc1C1CCOCC1
InChIInChI=1S/C14H14BrNO2/c15-11-2-1-10-7-13(17)14(16-12(10)8-11)9-3-5-18-6-4-9/h1-2,7-9,17H,3-6H2
InChIKeyBSSOSYLZXZFKPA-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.60
Rot. Bonds1

About 7-bromo-2-(oxan-4-yl)quinolin-3-ol

7-bromo-2-(oxan-4-yl)quinolin-3-ol (PubChem CID 165487592) has the molecular formula C14H14BrNO2 and a molecular weight of 308.17 g/mol. Its IUPAC name is 7-bromo-2-(oxan-4-yl)quinolin-3-ol.

Molecular Properties

Compound Name7-bromo-2-(oxan-4-yl)quinolin-3-ol
PubChem CID165487592
Molecular FormulaC14H14BrNO2
Molecular Weight308.17 g/mol
Exact Mass307.02
IUPAC Name7-bromo-2-(oxan-4-yl)quinolin-3-ol
SMILESOc1cc2ccc(Br)cc2nc1C1CCOCC1
InChIInChI=1S/C14H14BrNO2/c15-11-2-1-10-7-13(17)14(16-12(10)8-11)9-3-5-18-6-4-9/h1-2,7-9,17H,3-6H2
InChIKeyBSSOSYLZXZFKPA-UHFFFAOYSA-N
XLogP3.60
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(oxan-4-yl)quinolin-3-ol?
The IUPAC name of 7-bromo-2-(oxan-4-yl)quinolin-3-ol (CID 165487592) is 7-bromo-2-(oxan-4-yl)quinolin-3-ol.
What is the SMILES notation for 7-bromo-2-(oxan-4-yl)quinolin-3-ol?
The canonical SMILES for 7-bromo-2-(oxan-4-yl)quinolin-3-ol is Oc1cc2ccc(Br)cc2nc1C1CCOCC1.
What is the InChIKey of 7-bromo-2-(oxan-4-yl)quinolin-3-ol?
The InChIKey is BSSOSYLZXZFKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c15-11-2-1-10-7-13(17)14(16-12(10)8-11)9-3-5-18-6-4-9/h1-2,7-9,17H,3-6H2.
What are the key properties of 7-bromo-2-(oxan-4-yl)quinolin-3-ol?
7-bromo-2-(oxan-4-yl)quinolin-3-ol has a molecular weight of 308.17 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(oxan-4-yl)quinolin-3-ol is sourced from PubChem (CID 165487592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).