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

C13H18BrNO2 — CID 68576214

IUPAC1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrobromide
SMILESBr.OC1=CC=C2C=C3NCCCC3CC2C1O
InChIInChI=1S/C13H17NO2.BrH/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
InChIKeySIQDGFIVLBGGFO-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.21
Rot. Bonds

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

1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrobromide (PubChem CID 68576214) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrobromide.

Molecular Properties

Compound Name1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrobromide
PubChem CID68576214
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrobromide
SMILESBr.OC1=CC=C2C=C3NCCCC3CC2C1O
InChIInChI=1S/C13H17NO2.BrH/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
InChIKeySIQDGFIVLBGGFO-UHFFFAOYSA-N
XLogP2.21
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.21
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;hydrobromide?
The IUPAC name of 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrobromide (CID 68576214) is 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrobromide.
What is the SMILES notation for 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrobromide?
The canonical SMILES for 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrobromide is Br.OC1=CC=C2C=C3NCCCC3CC2C1O.
What is the InChIKey of 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrobromide?
The InChIKey is SIQDGFIVLBGGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.BrH/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;hydrobromide?
1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline-6,7-diol;hydrobromide has a molecular weight of 300.20 g/mol, XLogP of 2.21, 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;hydrobromide is sourced from PubChem (CID 68576214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).