1,2,3,4,6,6a,10a,10b-octahydrobenzo[f]quinoline

C13H17N — CID 19707380

IUPAC1,2,3,4,6,6a,10a,10b-octahydrobenzo[f]quinoline
SMILESC1=CC2CC=C3NCCCC3C2C=C1
InChIInChI=1S/C13H17N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-2,4-5,8,10-12,14H,3,6-7,9H2
InChIKeyQELWUNHWIFGOKL-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.63
Rot. Bonds

About 1,2,3,4,6,6a,10a,10b-octahydrobenzo[f]quinoline

1,2,3,4,6,6a,10a,10b-octahydrobenzo[f]quinoline (PubChem CID 19707380) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1,2,3,4,6,6a,10a,10b-octahydrobenzo[f]quinoline.

Molecular Properties

Compound Name1,2,3,4,6,6a,10a,10b-octahydrobenzo[f]quinoline
PubChem CID19707380
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1,2,3,4,6,6a,10a,10b-octahydrobenzo[f]quinoline
SMILESC1=CC2CC=C3NCCCC3C2C=C1
InChIInChI=1S/C13H17N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-2,4-5,8,10-12,14H,3,6-7,9H2
InChIKeyQELWUNHWIFGOKL-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,6a,10a,10b-octahydrobenzo[f]quinoline?
The IUPAC name of 1,2,3,4,6,6a,10a,10b-octahydrobenzo[f]quinoline (CID 19707380) is 1,2,3,4,6,6a,10a,10b-octahydrobenzo[f]quinoline.
What is the SMILES notation for 1,2,3,4,6,6a,10a,10b-octahydrobenzo[f]quinoline?
The canonical SMILES for 1,2,3,4,6,6a,10a,10b-octahydrobenzo[f]quinoline is C1=CC2CC=C3NCCCC3C2C=C1.
What is the InChIKey of 1,2,3,4,6,6a,10a,10b-octahydrobenzo[f]quinoline?
The InChIKey is QELWUNHWIFGOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-2,4-5,8,10-12,14H,3,6-7,9H2.
What are the key properties of 1,2,3,4,6,6a,10a,10b-octahydrobenzo[f]quinoline?
1,2,3,4,6,6a,10a,10b-octahydrobenzo[f]quinoline has a molecular weight of 187.29 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,6a,10a,10b-octahydrobenzo[f]quinoline is sourced from PubChem (CID 19707380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).