1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinolin-7-ol

C13H17NO — CID 19102623

IUPAC1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinolin-7-ol
SMILESOC1=C2CCC3NCCCC3=C2CC=C1
InChIInChI=1S/C13H17NO/c15-13-5-1-3-9-10-4-2-8-14-12(10)7-6-11(9)13/h1,5,12,14-15H,2-4,6-8H2
InChIKeyJUBVRCNIOZTMSU-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.60
Rot. Bonds

About 1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinolin-7-ol

1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinolin-7-ol (PubChem CID 19102623) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinolin-7-ol.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinolin-7-ol
PubChem CID19102623
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinolin-7-ol
SMILESOC1=C2CCC3NCCCC3=C2CC=C1
InChIInChI=1S/C13H17NO/c15-13-5-1-3-9-10-4-2-8-14-12(10)7-6-11(9)13/h1,5,12,14-15H,2-4,6-8H2
InChIKeyJUBVRCNIOZTMSU-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinolin-7-ol?
The IUPAC name of 1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinolin-7-ol (CID 19102623) is 1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinolin-7-ol.
What is the SMILES notation for 1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinolin-7-ol?
The canonical SMILES for 1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinolin-7-ol is OC1=C2CCC3NCCCC3=C2CC=C1.
What is the InChIKey of 1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinolin-7-ol?
The InChIKey is JUBVRCNIOZTMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c15-13-5-1-3-9-10-4-2-8-14-12(10)7-6-11(9)13/h1,5,12,14-15H,2-4,6-8H2.
What are the key properties of 1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinolin-7-ol?
1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinolin-7-ol has a molecular weight of 203.28 g/mol, XLogP of 2.60, 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,5,6,10-octahydrobenzo[f]quinolin-7-ol is sourced from PubChem (CID 19102623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).