6-methoxy-2,3,4,4a,5,10-hexahydrobenzo[g]quinoline

C14H17NO — CID 14004790

IUPAC6-methoxy-2,3,4,4a,5,10-hexahydrobenzo[g]quinoline
SMILESCOc1cccc2c1CC1CCCN=C1C2
InChIInChI=1S/C14H17NO/c1-16-14-6-2-4-10-9-13-11(8-12(10)14)5-3-7-15-13/h2,4,6,11H,3,5,7-9H2,1H3
InChIKeyHPLJFGBZEFITHV-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.64
Rot. Bonds1

About 6-methoxy-2,3,4,4a,5,10-hexahydrobenzo[g]quinoline

6-methoxy-2,3,4,4a,5,10-hexahydrobenzo[g]quinoline (PubChem CID 14004790) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 6-methoxy-2,3,4,4a,5,10-hexahydrobenzo[g]quinoline.

Molecular Properties

Compound Name6-methoxy-2,3,4,4a,5,10-hexahydrobenzo[g]quinoline
PubChem CID14004790
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name6-methoxy-2,3,4,4a,5,10-hexahydrobenzo[g]quinoline
SMILESCOc1cccc2c1CC1CCCN=C1C2
InChIInChI=1S/C14H17NO/c1-16-14-6-2-4-10-9-13-11(8-12(10)14)5-3-7-15-13/h2,4,6,11H,3,5,7-9H2,1H3
InChIKeyHPLJFGBZEFITHV-UHFFFAOYSA-N
XLogP2.64
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,3,4,4a,5,10-hexahydrobenzo[g]quinoline?
The IUPAC name of 6-methoxy-2,3,4,4a,5,10-hexahydrobenzo[g]quinoline (CID 14004790) is 6-methoxy-2,3,4,4a,5,10-hexahydrobenzo[g]quinoline.
What is the SMILES notation for 6-methoxy-2,3,4,4a,5,10-hexahydrobenzo[g]quinoline?
The canonical SMILES for 6-methoxy-2,3,4,4a,5,10-hexahydrobenzo[g]quinoline is COc1cccc2c1CC1CCCN=C1C2.
What is the InChIKey of 6-methoxy-2,3,4,4a,5,10-hexahydrobenzo[g]quinoline?
The InChIKey is HPLJFGBZEFITHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-16-14-6-2-4-10-9-13-11(8-12(10)14)5-3-7-15-13/h2,4,6,11H,3,5,7-9H2,1H3.
What are the key properties of 6-methoxy-2,3,4,4a,5,10-hexahydrobenzo[g]quinoline?
6-methoxy-2,3,4,4a,5,10-hexahydrobenzo[g]quinoline has a molecular weight of 215.30 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3,4,4a,5,10-hexahydrobenzo[g]quinoline is sourced from PubChem (CID 14004790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).