2-butyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

C24H27NO2 — CID 10808580

IUPAC2-butyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCCCC1CCc2ccc(OCc3ccc4ccccc4n3)cc2C1O
InChIInChI=1S/C24H27NO2/c1-2-3-6-19-10-9-17-12-14-21(15-22(17)24(19)26)27-16-20-13-11-18-7-4-5-8-23(18)25-20/h4-5,7-8,11-15,19,24,26H,2-3,6,9-10,16H2,1H3
InChIKeyHAAKJHPJDSOUSI-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.60
Rot. Bonds6

About 2-butyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

2-butyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 10808580) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-butyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-butyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID10808580
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name2-butyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCCCC1CCc2ccc(OCc3ccc4ccccc4n3)cc2C1O
InChIInChI=1S/C24H27NO2/c1-2-3-6-19-10-9-17-12-14-21(15-22(17)24(19)26)27-16-20-13-11-18-7-4-5-8-23(18)25-20/h4-5,7-8,11-15,19,24,26H,2-3,6,9-10,16H2,1H3
InChIKeyHAAKJHPJDSOUSI-UHFFFAOYSA-N
XLogP5.60
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-butyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-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 2-butyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-butyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 10808580) is 2-butyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-butyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-butyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is CCCCC1CCc2ccc(OCc3ccc4ccccc4n3)cc2C1O.
What is the InChIKey of 2-butyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is HAAKJHPJDSOUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-2-3-6-19-10-9-17-12-14-21(15-22(17)24(19)26)27-16-20-13-11-18-7-4-5-8-23(18)25-20/h4-5,7-8,11-15,19,24,26H,2-3,6,9-10,16H2,1H3.
What are the key properties of 2-butyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
2-butyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 361.49 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 10808580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).