7-methoxy-1,2,3,4,10a,10b-hexahydrobenzo[f]quinoline

C14H17NO — CID 88662281

IUPAC7-methoxy-1,2,3,4,10a,10b-hexahydrobenzo[f]quinoline
SMILESCOC1=CC=CC2C1=CC=C1NCCCC12
InChIInChI=1S/C14H17NO/c1-16-14-6-2-4-10-11-5-3-9-15-13(11)8-7-12(10)14/h2,4,6-8,10-11,15H,3,5,9H2,1H3
InChIKeyWGRACXKTVBXGEO-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.53
Rot. Bonds1

About 7-methoxy-1,2,3,4,10a,10b-hexahydrobenzo[f]quinoline

7-methoxy-1,2,3,4,10a,10b-hexahydrobenzo[f]quinoline (PubChem CID 88662281) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 7-methoxy-1,2,3,4,10a,10b-hexahydrobenzo[f]quinoline.

Molecular Properties

Compound Name7-methoxy-1,2,3,4,10a,10b-hexahydrobenzo[f]quinoline
PubChem CID88662281
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name7-methoxy-1,2,3,4,10a,10b-hexahydrobenzo[f]quinoline
SMILESCOC1=CC=CC2C1=CC=C1NCCCC12
InChIInChI=1S/C14H17NO/c1-16-14-6-2-4-10-11-5-3-9-15-13(11)8-7-12(10)14/h2,4,6-8,10-11,15H,3,5,9H2,1H3
InChIKeyWGRACXKTVBXGEO-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,2,3,4,10a,10b-hexahydrobenzo[f]quinoline?
The IUPAC name of 7-methoxy-1,2,3,4,10a,10b-hexahydrobenzo[f]quinoline (CID 88662281) is 7-methoxy-1,2,3,4,10a,10b-hexahydrobenzo[f]quinoline.
What is the SMILES notation for 7-methoxy-1,2,3,4,10a,10b-hexahydrobenzo[f]quinoline?
The canonical SMILES for 7-methoxy-1,2,3,4,10a,10b-hexahydrobenzo[f]quinoline is COC1=CC=CC2C1=CC=C1NCCCC12.
What is the InChIKey of 7-methoxy-1,2,3,4,10a,10b-hexahydrobenzo[f]quinoline?
The InChIKey is WGRACXKTVBXGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-16-14-6-2-4-10-11-5-3-9-15-13(11)8-7-12(10)14/h2,4,6-8,10-11,15H,3,5,9H2,1H3.
What are the key properties of 7-methoxy-1,2,3,4,10a,10b-hexahydrobenzo[f]quinoline?
7-methoxy-1,2,3,4,10a,10b-hexahydrobenzo[f]quinoline has a molecular weight of 215.30 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,2,3,4,10a,10b-hexahydrobenzo[f]quinoline is sourced from PubChem (CID 88662281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).