10-methoxy-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinoline

C14H19NO — CID 70486099

IUPAC10-methoxy-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinoline
SMILESCOC1=CC=CC2CCC3NCCCC3=C12
InChIInChI=1S/C14H19NO/c1-16-13-6-2-4-10-7-8-12-11(14(10)13)5-3-9-15-12/h2,4,6,10,12,15H,3,5,7-9H2,1H3
InChIKeyZZWGDRQRBRWACH-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.55
Rot. Bonds1

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

10-methoxy-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinoline (PubChem CID 70486099) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 10-methoxy-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinoline.

Molecular Properties

Compound Name10-methoxy-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinoline
PubChem CID70486099
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name10-methoxy-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinoline
SMILESCOC1=CC=CC2CCC3NCCCC3=C12
InChIInChI=1S/C14H19NO/c1-16-13-6-2-4-10-7-8-12-11(14(10)13)5-3-9-15-12/h2,4,6,10,12,15H,3,5,7-9H2,1H3
InChIKeyZZWGDRQRBRWACH-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinoline?
The IUPAC name of 10-methoxy-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinoline (CID 70486099) is 10-methoxy-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinoline.
What is the SMILES notation for 10-methoxy-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinoline?
The canonical SMILES for 10-methoxy-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinoline is COC1=CC=CC2CCC3NCCCC3=C12.
What is the InChIKey of 10-methoxy-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinoline?
The InChIKey is ZZWGDRQRBRWACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-16-13-6-2-4-10-7-8-12-11(14(10)13)5-3-9-15-12/h2,4,6,10,12,15H,3,5,7-9H2,1H3.
What are the key properties of 10-methoxy-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinoline?
10-methoxy-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinoline has a molecular weight of 217.31 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinoline is sourced from PubChem (CID 70486099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).