1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-10-ol

C13H17NO — CID 67195111

IUPAC1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-10-ol
SMILESOC1=CC=CC2CCC3NCCCC3=C12
InChIInChI=1S/C13H17NO/c15-12-5-1-3-9-6-7-11-10(13(9)12)4-2-8-14-11/h1,3,5,9,11,14-15H,2,4,6-8H2
InChIKeyIDNLLDPZKYVYHL-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.46
Rot. Bonds

About 1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-10-ol

1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-10-ol (PubChem CID 67195111) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-10-ol.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-10-ol
PubChem CID67195111
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-10-ol
SMILESOC1=CC=CC2CCC3NCCCC3=C12
InChIInChI=1S/C13H17NO/c15-12-5-1-3-9-6-7-11-10(13(9)12)4-2-8-14-11/h1,3,5,9,11,14-15H,2,4,6-8H2
InChIKeyIDNLLDPZKYVYHL-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-10-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 1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-10-ol?
The IUPAC name of 1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-10-ol (CID 67195111) is 1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-10-ol.
What is the SMILES notation for 1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-10-ol?
The canonical SMILES for 1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-10-ol is OC1=CC=CC2CCC3NCCCC3=C12.
What is the InChIKey of 1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-10-ol?
The InChIKey is IDNLLDPZKYVYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c15-12-5-1-3-9-6-7-11-10(13(9)12)4-2-8-14-11/h1,3,5,9,11,14-15H,2,4,6-8H2.
What are the key properties of 1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-10-ol?
1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-10-ol has a molecular weight of 203.28 g/mol, XLogP of 2.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-10-ol is sourced from PubChem (CID 67195111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).