1,2,3,4,4a,5-hexahydrobenzo[f]quinoline

C13H15N — CID 88521331

IUPAC1,2,3,4,4a,5-hexahydrobenzo[f]quinoline
SMILESC1=c2ccccc2=C2CCCNC2C1
InChIInChI=1S/C13H15N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-2,4-5,7,13-14H,3,6,8-9H2
InChIKeyQWGHFZMAIFWKFO-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.77
Rot. Bonds

About 1,2,3,4,4a,5-hexahydrobenzo[f]quinoline

1,2,3,4,4a,5-hexahydrobenzo[f]quinoline (PubChem CID 88521331) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 1,2,3,4,4a,5-hexahydrobenzo[f]quinoline.

Molecular Properties

Compound Name1,2,3,4,4a,5-hexahydrobenzo[f]quinoline
PubChem CID88521331
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name1,2,3,4,4a,5-hexahydrobenzo[f]quinoline
SMILESC1=c2ccccc2=C2CCCNC2C1
InChIInChI=1S/C13H15N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-2,4-5,7,13-14H,3,6,8-9H2
InChIKeyQWGHFZMAIFWKFO-UHFFFAOYSA-N
XLogP0.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.77
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-hexahydrobenzo[f]quinoline?
The IUPAC name of 1,2,3,4,4a,5-hexahydrobenzo[f]quinoline (CID 88521331) is 1,2,3,4,4a,5-hexahydrobenzo[f]quinoline.
What is the SMILES notation for 1,2,3,4,4a,5-hexahydrobenzo[f]quinoline?
The canonical SMILES for 1,2,3,4,4a,5-hexahydrobenzo[f]quinoline is C1=c2ccccc2=C2CCCNC2C1.
What is the InChIKey of 1,2,3,4,4a,5-hexahydrobenzo[f]quinoline?
The InChIKey is QWGHFZMAIFWKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-2,4-5,7,13-14H,3,6,8-9H2.
What are the key properties of 1,2,3,4,4a,5-hexahydrobenzo[f]quinoline?
1,2,3,4,4a,5-hexahydrobenzo[f]quinoline has a molecular weight of 185.27 g/mol, XLogP of 0.77, 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-hexahydrobenzo[f]quinoline is sourced from PubChem (CID 88521331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).