1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol

C13H17NO2 — CID 66617923

IUPAC1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol
SMILESOC1=CC=C2C=C3NCCCC3CC2C1O
InChIInChI=1S/C13H17NO2/c15-12-4-3-8-7-11-9(2-1-5-14-11)6-10(8)13(12)16/h3-4,7,9-10,13-16H,1-2,5-6H2
InChIKeyCJHAPGWOWCYVNE-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.63
Rot. Bonds

About 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol

1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol (PubChem CID 66617923) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol.

Molecular Properties

Compound Name1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol
PubChem CID66617923
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol
SMILESOC1=CC=C2C=C3NCCCC3CC2C1O
InChIInChI=1S/C13H17NO2/c15-12-4-3-8-7-11-9(2-1-5-14-11)6-10(8)13(12)16/h3-4,7,9-10,13-16H,1-2,5-6H2
InChIKeyCJHAPGWOWCYVNE-UHFFFAOYSA-N
XLogP1.63
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol?
The IUPAC name of 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol (CID 66617923) is 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol.
What is the SMILES notation for 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol?
The canonical SMILES for 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol is OC1=CC=C2C=C3NCCCC3CC2C1O.
What is the InChIKey of 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol?
The InChIKey is CJHAPGWOWCYVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-12-4-3-8-7-11-9(2-1-5-14-11)6-10(8)13(12)16/h3-4,7,9-10,13-16H,1-2,5-6H2.
What are the key properties of 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol?
1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol has a molecular weight of 219.28 g/mol, XLogP of 1.63, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol is sourced from PubChem (CID 66617923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).