1,4,4a,5,10,10a-hexahydrobenzo[g]quinoline

C13H15N — CID 155724680

IUPAC1,4,4a,5,10,10a-hexahydrobenzo[g]quinoline
SMILESC1=CNC2Cc3ccccc3CC2C1
InChIInChI=1S/C13H15N/c1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1/h1-5,7,12-14H,6,8-9H2
InChIKeyDOBUGYUQSPPBET-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.28
Rot. Bonds

About 1,4,4a,5,10,10a-hexahydrobenzo[g]quinoline

1,4,4a,5,10,10a-hexahydrobenzo[g]quinoline (PubChem CID 155724680) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 1,4,4a,5,10,10a-hexahydrobenzo[g]quinoline.

Molecular Properties

Compound Name1,4,4a,5,10,10a-hexahydrobenzo[g]quinoline
PubChem CID155724680
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name1,4,4a,5,10,10a-hexahydrobenzo[g]quinoline
SMILESC1=CNC2Cc3ccccc3CC2C1
InChIInChI=1S/C13H15N/c1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1/h1-5,7,12-14H,6,8-9H2
InChIKeyDOBUGYUQSPPBET-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4,4a,5,10,10a-hexahydrobenzo[g]quinoline?
The IUPAC name of 1,4,4a,5,10,10a-hexahydrobenzo[g]quinoline (CID 155724680) is 1,4,4a,5,10,10a-hexahydrobenzo[g]quinoline.
What is the SMILES notation for 1,4,4a,5,10,10a-hexahydrobenzo[g]quinoline?
The canonical SMILES for 1,4,4a,5,10,10a-hexahydrobenzo[g]quinoline is C1=CNC2Cc3ccccc3CC2C1.
What is the InChIKey of 1,4,4a,5,10,10a-hexahydrobenzo[g]quinoline?
The InChIKey is DOBUGYUQSPPBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1/h1-5,7,12-14H,6,8-9H2.
What are the key properties of 1,4,4a,5,10,10a-hexahydrobenzo[g]quinoline?
1,4,4a,5,10,10a-hexahydrobenzo[g]quinoline has a molecular weight of 185.27 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4a,5,10,10a-hexahydrobenzo[g]quinoline is sourced from PubChem (CID 155724680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).