11-methyl-8,9-dihydrocyclohepta[b]quinolin-8-ide

C15H12N- — CID 91452530

IUPAC11-methyl-8,9-dihydrocyclohepta[b]quinolin-8-ide
SMILESCc1c2c(nc3ccccc13)=CC=[C-]CC=2
InChIInChI=1S/C15H12N/c1-11-12-7-3-2-4-9-14(12)16-15-10-6-5-8-13(11)15/h4-10H,3H2,1H3/q-1
InChIKeyZSMAFQKBPYNRMV-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.87
Rot. Bonds

About 11-methyl-8,9-dihydrocyclohepta[b]quinolin-8-ide

11-methyl-8,9-dihydrocyclohepta[b]quinolin-8-ide (PubChem CID 91452530) has the molecular formula C15H12N- and a molecular weight of 206.27 g/mol. Its IUPAC name is 11-methyl-8,9-dihydrocyclohepta[b]quinolin-8-ide.

Molecular Properties

Compound Name11-methyl-8,9-dihydrocyclohepta[b]quinolin-8-ide
PubChem CID91452530
Molecular FormulaC15H12N-
Molecular Weight206.27 g/mol
Exact Mass206.10
IUPAC Name11-methyl-8,9-dihydrocyclohepta[b]quinolin-8-ide
SMILESCc1c2c(nc3ccccc13)=CC=[C-]CC=2
InChIInChI=1S/C15H12N/c1-11-12-7-3-2-4-9-14(12)16-15-10-6-5-8-13(11)15/h4-10H,3H2,1H3/q-1
InChIKeyZSMAFQKBPYNRMV-UHFFFAOYSA-N
XLogP1.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-8,9-dihydrocyclohepta[b]quinolin-8-ide?
The IUPAC name of 11-methyl-8,9-dihydrocyclohepta[b]quinolin-8-ide (CID 91452530) is 11-methyl-8,9-dihydrocyclohepta[b]quinolin-8-ide.
What is the SMILES notation for 11-methyl-8,9-dihydrocyclohepta[b]quinolin-8-ide?
The canonical SMILES for 11-methyl-8,9-dihydrocyclohepta[b]quinolin-8-ide is Cc1c2c(nc3ccccc13)=CC=[C-]CC=2.
What is the InChIKey of 11-methyl-8,9-dihydrocyclohepta[b]quinolin-8-ide?
The InChIKey is ZSMAFQKBPYNRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N/c1-11-12-7-3-2-4-9-14(12)16-15-10-6-5-8-13(11)15/h4-10H,3H2,1H3/q-1.
What are the key properties of 11-methyl-8,9-dihydrocyclohepta[b]quinolin-8-ide?
11-methyl-8,9-dihydrocyclohepta[b]quinolin-8-ide has a molecular weight of 206.27 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-8,9-dihydrocyclohepta[b]quinolin-8-ide is sourced from PubChem (CID 91452530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).