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

C13H18ClNO2 — CID 175720895

IUPAC1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrochloride
SMILESCl.OC1=CC=C2C=C3NCCCC3CC2C1O
InChIInChI=1S/C13H17NO2.ClH/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;1H
InChIKeyBKINCKQCSPMVET-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.05
Rot. Bonds

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

1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrochloride (PubChem CID 175720895) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrochloride.

Molecular Properties

Compound Name1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrochloride
PubChem CID175720895
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrochloride
SMILESCl.OC1=CC=C2C=C3NCCCC3CC2C1O
InChIInChI=1S/C13H17NO2.ClH/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;1H
InChIKeyBKINCKQCSPMVET-UHFFFAOYSA-N
XLogP2.05
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.05
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;hydrochloride?
The IUPAC name of 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrochloride (CID 175720895) is 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrochloride.
What is the SMILES notation for 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrochloride?
The canonical SMILES for 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrochloride is Cl.OC1=CC=C2C=C3NCCCC3CC2C1O.
What is the InChIKey of 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrochloride?
The InChIKey is BKINCKQCSPMVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/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;1H.
What are the key properties of 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrochloride?
1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrochloride has a molecular weight of 255.74 g/mol, XLogP of 2.05, 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;hydrochloride is sourced from PubChem (CID 175720895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).