7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline

C14H19NO — CID 83887769

IUPAC7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline
SMILESCOc1cccc2c1CCC1CCCNC21
InChIInChI=1S/C14H19NO/c1-16-13-6-2-5-12-11(13)8-7-10-4-3-9-15-14(10)12/h2,5-6,10,14-15H,3-4,7-9H2,1H3
InChIKeyJBDUWYJDRUQWIY-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.68
Rot. Bonds1

About 7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline

7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline (PubChem CID 83887769) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline.

Molecular Properties

Compound Name7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline
PubChem CID83887769
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline
SMILESCOc1cccc2c1CCC1CCCNC21
InChIInChI=1S/C14H19NO/c1-16-13-6-2-5-12-11(13)8-7-10-4-3-9-15-14(10)12/h2,5-6,10,14-15H,3-4,7-9H2,1H3
InChIKeyJBDUWYJDRUQWIY-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline?
The IUPAC name of 7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline (CID 83887769) is 7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline.
What is the SMILES notation for 7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline?
The canonical SMILES for 7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline is COc1cccc2c1CCC1CCCNC21.
What is the InChIKey of 7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline?
The InChIKey is JBDUWYJDRUQWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-16-13-6-2-5-12-11(13)8-7-10-4-3-9-15-14(10)12/h2,5-6,10,14-15H,3-4,7-9H2,1H3.
What are the key properties of 7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline?
7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline has a molecular weight of 217.31 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline is sourced from PubChem (CID 83887769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).