3-azatetracyclo[7.5.0.02,6.012,14]tetradeca-1,3,5,7,9,11,13-heptaene

C13H7N — CID 87104537

IUPAC3-azatetracyclo[7.5.0.02,6.012,14]tetradeca-1,3,5,7,9,11,13-heptaene
SMILESc1cc2ccc3ccc4cc4c3c2n1
InChIInChI=1S/C13H7N/c1-3-9-5-6-14-13(9)12-8(1)2-4-10-7-11(10)12/h1-7H
InChIKeyKTLUMOZOWZSJFC-UHFFFAOYSA-N
MW177.21 g/mol
LogP3.42
Rot. Bonds

About 3-azatetracyclo[7.5.0.02,6.012,14]tetradeca-1,3,5,7,9,11,13-heptaene

3-azatetracyclo[7.5.0.02,6.012,14]tetradeca-1,3,5,7,9,11,13-heptaene (PubChem CID 87104537) has the molecular formula C13H7N and a molecular weight of 177.21 g/mol. Its IUPAC name is 3-azatetracyclo[7.5.0.02,6.012,14]tetradeca-1,3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name3-azatetracyclo[7.5.0.02,6.012,14]tetradeca-1,3,5,7,9,11,13-heptaene
PubChem CID87104537
Molecular FormulaC13H7N
Molecular Weight177.21 g/mol
Exact Mass177.06
IUPAC Name3-azatetracyclo[7.5.0.02,6.012,14]tetradeca-1,3,5,7,9,11,13-heptaene
SMILESc1cc2ccc3ccc4cc4c3c2n1
InChIInChI=1S/C13H7N/c1-3-9-5-6-14-13(9)12-8(1)2-4-10-7-11(10)12/h1-7H
InChIKeyKTLUMOZOWZSJFC-UHFFFAOYSA-N
XLogP3.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-azatetracyclo[7.5.0.02,6.012,14]tetradeca-1,3,5,7,9,11,13-heptaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dihydrodibenzazepine
CID 87126010
Isoindolobenzazepine
CID 87266485
Dihydroindeno[1,2-c]isoquinoline
CID 87461110
Cycloheptindole
CID 87491806
Cyclopentindole
CID 88133445
9h-Pyrido (3,4)-indole
CID 129717795
2-phenyl-3H-pyridin-3-ide;uranium(2+)
CID 21050943
7-propyl-6H-indole
CID 56638971
8-Methyl-6,7-dihydroquinoline
CID 66607842
1H-indeno[1,2-c]isoquinoline
CID 87368268
7-ethyl-6H-indole
CID 91076475
N-(1-ethenyl-3-methyl-4-methylideneinden-2-yl)ethanimine
CID 139435853

Frequently Asked Questions

What is the IUPAC name of 3-azatetracyclo[7.5.0.02,6.012,14]tetradeca-1,3,5,7,9,11,13-heptaene?
The IUPAC name of 3-azatetracyclo[7.5.0.02,6.012,14]tetradeca-1,3,5,7,9,11,13-heptaene (CID 87104537) is 3-azatetracyclo[7.5.0.02,6.012,14]tetradeca-1,3,5,7,9,11,13-heptaene.
What is the SMILES notation for 3-azatetracyclo[7.5.0.02,6.012,14]tetradeca-1,3,5,7,9,11,13-heptaene?
The canonical SMILES for 3-azatetracyclo[7.5.0.02,6.012,14]tetradeca-1,3,5,7,9,11,13-heptaene is c1cc2ccc3ccc4cc4c3c2n1.
What is the InChIKey of 3-azatetracyclo[7.5.0.02,6.012,14]tetradeca-1,3,5,7,9,11,13-heptaene?
The InChIKey is KTLUMOZOWZSJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N/c1-3-9-5-6-14-13(9)12-8(1)2-4-10-7-11(10)12/h1-7H.
What are the key properties of 3-azatetracyclo[7.5.0.02,6.012,14]tetradeca-1,3,5,7,9,11,13-heptaene?
3-azatetracyclo[7.5.0.02,6.012,14]tetradeca-1,3,5,7,9,11,13-heptaene has a molecular weight of 177.21 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azatetracyclo[7.5.0.02,6.012,14]tetradeca-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 87104537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).