8,11-dimethyl-9H-cyclohepta[g]isoquinoline

C16H15N — CID 91599723

IUPAC8,11-dimethyl-9H-cyclohepta[g]isoquinoline
SMILESCC1=CC=c2cc3ccncc3c(C)c2=CC1
InChIInChI=1S/C16H15N/c1-11-3-5-13-9-14-7-8-17-10-16(14)12(2)15(13)6-4-11/h3,5-10H,4H2,1-2H3
InChIKeyXNZDCMONKAOHEO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.45
Rot. Bonds

About 8,11-dimethyl-9H-cyclohepta[g]isoquinoline

8,11-dimethyl-9H-cyclohepta[g]isoquinoline (PubChem CID 91599723) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 8,11-dimethyl-9H-cyclohepta[g]isoquinoline.

Molecular Properties

Compound Name8,11-dimethyl-9H-cyclohepta[g]isoquinoline
PubChem CID91599723
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name8,11-dimethyl-9H-cyclohepta[g]isoquinoline
SMILESCC1=CC=c2cc3ccncc3c(C)c2=CC1
InChIInChI=1S/C16H15N/c1-11-3-5-13-9-14-7-8-17-10-16(14)12(2)15(13)6-4-11/h3,5-10H,4H2,1-2H3
InChIKeyXNZDCMONKAOHEO-UHFFFAOYSA-N
XLogP2.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,11-dimethyl-9H-cyclohepta[g]isoquinoline?
The IUPAC name of 8,11-dimethyl-9H-cyclohepta[g]isoquinoline (CID 91599723) is 8,11-dimethyl-9H-cyclohepta[g]isoquinoline.
What is the SMILES notation for 8,11-dimethyl-9H-cyclohepta[g]isoquinoline?
The canonical SMILES for 8,11-dimethyl-9H-cyclohepta[g]isoquinoline is CC1=CC=c2cc3ccncc3c(C)c2=CC1.
What is the InChIKey of 8,11-dimethyl-9H-cyclohepta[g]isoquinoline?
The InChIKey is XNZDCMONKAOHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-11-3-5-13-9-14-7-8-17-10-16(14)12(2)15(13)6-4-11/h3,5-10H,4H2,1-2H3.
What are the key properties of 8,11-dimethyl-9H-cyclohepta[g]isoquinoline?
8,11-dimethyl-9H-cyclohepta[g]isoquinoline has a molecular weight of 221.30 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-dimethyl-9H-cyclohepta[g]isoquinoline is sourced from PubChem (CID 91599723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).