11-methyl-8,9-didehydro-7,10-dihydro-6H-cyclohepta[b]quinoline

C15H13N — CID 143904669

IUPAC11-methyl-8,9-didehydro-7,10-dihydro-6H-cyclohepta[b]quinoline
SMILESCc1c2c(nc3ccccc13)CCC#CC2
InChIInChI=1S/C15H13N/c1-11-12-7-3-2-4-9-14(12)16-15-10-6-5-8-13(11)15/h5-6,8,10H,4,7,9H2,1H3
InChIKeyLKWBOFMWFRRYDM-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.04
Rot. Bonds

About 11-methyl-8,9-didehydro-7,10-dihydro-6H-cyclohepta[b]quinoline

11-methyl-8,9-didehydro-7,10-dihydro-6H-cyclohepta[b]quinoline (PubChem CID 143904669) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 11-methyl-8,9-didehydro-7,10-dihydro-6H-cyclohepta[b]quinoline.

Molecular Properties

Compound Name11-methyl-8,9-didehydro-7,10-dihydro-6H-cyclohepta[b]quinoline
PubChem CID143904669
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name11-methyl-8,9-didehydro-7,10-dihydro-6H-cyclohepta[b]quinoline
SMILESCc1c2c(nc3ccccc13)CCC#CC2
InChIInChI=1S/C15H13N/c1-11-12-7-3-2-4-9-14(12)16-15-10-6-5-8-13(11)15/h5-6,8,10H,4,7,9H2,1H3
InChIKeyLKWBOFMWFRRYDM-UHFFFAOYSA-N
XLogP3.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline
CID 3044001
2,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 58351930
5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine
CID 158548153
1-tert-butyl-4-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 132532119
7,8,11-trimethyl-6H-indeno[2,1-b]quinoline
CID 159016757
(4S)-4-chloro-9-methyl-1,2,3,4-tetrahydroacridine
CID 7063961
9-iodo-1,2,3,4-tetrahydroacridine
CID 628104
2-(11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinolin-3-yl)-1-morpholin-4-ylethanone
CID 158645776
5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;1,10-phenanthroline
CID 67708124
5-methyl-1H-pyrimido[4,5-b]quinoline-2-thione
CID 10577431
1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide
CID 89284205
3,4,9-trimethylacridine
CID 58813802

Frequently Asked Questions

What is the IUPAC name of 11-methyl-8,9-didehydro-7,10-dihydro-6H-cyclohepta[b]quinoline?
The IUPAC name of 11-methyl-8,9-didehydro-7,10-dihydro-6H-cyclohepta[b]quinoline (CID 143904669) is 11-methyl-8,9-didehydro-7,10-dihydro-6H-cyclohepta[b]quinoline.
What is the SMILES notation for 11-methyl-8,9-didehydro-7,10-dihydro-6H-cyclohepta[b]quinoline?
The canonical SMILES for 11-methyl-8,9-didehydro-7,10-dihydro-6H-cyclohepta[b]quinoline is Cc1c2c(nc3ccccc13)CCC#CC2.
What is the InChIKey of 11-methyl-8,9-didehydro-7,10-dihydro-6H-cyclohepta[b]quinoline?
The InChIKey is LKWBOFMWFRRYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-11-12-7-3-2-4-9-14(12)16-15-10-6-5-8-13(11)15/h5-6,8,10H,4,7,9H2,1H3.
What are the key properties of 11-methyl-8,9-didehydro-7,10-dihydro-6H-cyclohepta[b]quinoline?
11-methyl-8,9-didehydro-7,10-dihydro-6H-cyclohepta[b]quinoline has a molecular weight of 207.28 g/mol, XLogP of 3.04, 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-didehydro-7,10-dihydro-6H-cyclohepta[b]quinoline is sourced from PubChem (CID 143904669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).