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

C13H17N — CID 69368048

IUPAC1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline
SMILESC1=CCC2CC3CCCNC3=CC2=C1
InChIInChI=1S/C13H17N/c1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1/h1-2,5,9-10,12,14H,3-4,6-8H2
InChIKeyQJMIKHWBGQHYPT-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.78
Rot. Bonds

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

1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline (PubChem CID 69368048) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline.

Molecular Properties

Compound Name1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline
PubChem CID69368048
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline
SMILESC1=CCC2CC3CCCNC3=CC2=C1
InChIInChI=1S/C13H17N/c1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1/h1-2,5,9-10,12,14H,3-4,6-8H2
InChIKeyQJMIKHWBGQHYPT-UHFFFAOYSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline?
The IUPAC name of 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline (CID 69368048) is 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline.
What is the SMILES notation for 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline?
The canonical SMILES for 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline is C1=CCC2CC3CCCNC3=CC2=C1.
What is the InChIKey of 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline?
The InChIKey is QJMIKHWBGQHYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1/h1-2,5,9-10,12,14H,3-4,6-8H2.
What are the key properties of 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline?
1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline has a molecular weight of 187.29 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinoline is sourced from PubChem (CID 69368048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).