4-butyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol

C17H25NO — CID 14039982

IUPAC4-butyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol
SMILESCCCCN1CCCC2c3cc(O)ccc3CCC21
InChIInChI=1S/C17H25NO/c1-2-3-10-18-11-4-5-15-16-12-14(19)8-6-13(16)7-9-17(15)18/h6,8,12,15,17,19H,2-5,7,9-11H2,1H3
InChIKeyZIUSEXYMNHXTCK-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.69
Rot. Bonds3

About 4-butyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol

4-butyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol (PubChem CID 14039982) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-butyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol.

Molecular Properties

Compound Name4-butyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol
PubChem CID14039982
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-butyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol
SMILESCCCCN1CCCC2c3cc(O)ccc3CCC21
InChIInChI=1S/C17H25NO/c1-2-3-10-18-11-4-5-15-16-12-14(19)8-6-13(16)7-9-17(15)18/h6,8,12,15,17,19H,2-5,7,9-11H2,1H3
InChIKeyZIUSEXYMNHXTCK-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol?
The IUPAC name of 4-butyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol (CID 14039982) is 4-butyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol.
What is the SMILES notation for 4-butyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol?
The canonical SMILES for 4-butyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol is CCCCN1CCCC2c3cc(O)ccc3CCC21.
What is the InChIKey of 4-butyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol?
The InChIKey is ZIUSEXYMNHXTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-3-10-18-11-4-5-15-16-12-14(19)8-6-13(16)7-9-17(15)18/h6,8,12,15,17,19H,2-5,7,9-11H2,1H3.
What are the key properties of 4-butyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol?
4-butyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol has a molecular weight of 259.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-9-ol is sourced from PubChem (CID 14039982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).