5-bromo-7-[3-(2-methoxyphenyl)propyl]quinolin-8-ol

C19H18BrNO2 — CID 161006379

IUPAC5-bromo-7-[3-(2-methoxyphenyl)propyl]quinolin-8-ol
SMILESCOc1ccccc1CCCc1cc(Br)c2cccnc2c1O
InChIInChI=1S/C19H18BrNO2/c1-23-17-10-3-2-6-13(17)7-4-8-14-12-16(20)15-9-5-11-21-18(15)19(14)22/h2-3,5-6,9-12,22H,4,7-8H2,1H3
InChIKeyTWOAYWSLMQIDPD-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.89
Rot. Bonds5

About 5-bromo-7-[3-(2-methoxyphenyl)propyl]quinolin-8-ol

5-bromo-7-[3-(2-methoxyphenyl)propyl]quinolin-8-ol (PubChem CID 161006379) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 5-bromo-7-[3-(2-methoxyphenyl)propyl]quinolin-8-ol.

Molecular Properties

Compound Name5-bromo-7-[3-(2-methoxyphenyl)propyl]quinolin-8-ol
PubChem CID161006379
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC Name5-bromo-7-[3-(2-methoxyphenyl)propyl]quinolin-8-ol
SMILESCOc1ccccc1CCCc1cc(Br)c2cccnc2c1O
InChIInChI=1S/C19H18BrNO2/c1-23-17-10-3-2-6-13(17)7-4-8-14-12-16(20)15-9-5-11-21-18(15)19(14)22/h2-3,5-6,9-12,22H,4,7-8H2,1H3
InChIKeyTWOAYWSLMQIDPD-UHFFFAOYSA-N
XLogP4.89
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-7-[3-(2-methoxyphenyl)propyl]quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[3-(2-methoxyphenyl)propyl]quinolin-8-ol?
The IUPAC name of 5-bromo-7-[3-(2-methoxyphenyl)propyl]quinolin-8-ol (CID 161006379) is 5-bromo-7-[3-(2-methoxyphenyl)propyl]quinolin-8-ol.
What is the SMILES notation for 5-bromo-7-[3-(2-methoxyphenyl)propyl]quinolin-8-ol?
The canonical SMILES for 5-bromo-7-[3-(2-methoxyphenyl)propyl]quinolin-8-ol is COc1ccccc1CCCc1cc(Br)c2cccnc2c1O.
What is the InChIKey of 5-bromo-7-[3-(2-methoxyphenyl)propyl]quinolin-8-ol?
The InChIKey is TWOAYWSLMQIDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2/c1-23-17-10-3-2-6-13(17)7-4-8-14-12-16(20)15-9-5-11-21-18(15)19(14)22/h2-3,5-6,9-12,22H,4,7-8H2,1H3.
What are the key properties of 5-bromo-7-[3-(2-methoxyphenyl)propyl]quinolin-8-ol?
5-bromo-7-[3-(2-methoxyphenyl)propyl]quinolin-8-ol has a molecular weight of 372.26 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-[3-(2-methoxyphenyl)propyl]quinolin-8-ol is sourced from PubChem (CID 161006379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).