2-azatetracyclo[8.5.0.03,8.012,14]pentadeca-1(15),2,4,6,8,10-hexaene

C14H11N — CID 143757983

IUPAC2-azatetracyclo[8.5.0.03,8.012,14]pentadeca-1(15),2,4,6,8,10-hexaene
SMILESC1=c2cc3ccccc3nc2=CC2CC12
InChIInChI=1S/C14H11N/c1-2-4-13-9(3-1)5-12-7-10-6-11(10)8-14(12)15-13/h1-5,7-8,10-11H,6H2
InChIKeyPNQZKIDKXKJBJT-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.45
Rot. Bonds

About 2-azatetracyclo[8.5.0.03,8.012,14]pentadeca-1(15),2,4,6,8,10-hexaene

2-azatetracyclo[8.5.0.03,8.012,14]pentadeca-1(15),2,4,6,8,10-hexaene (PubChem CID 143757983) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-azatetracyclo[8.5.0.03,8.012,14]pentadeca-1(15),2,4,6,8,10-hexaene.

Molecular Properties

Compound Name2-azatetracyclo[8.5.0.03,8.012,14]pentadeca-1(15),2,4,6,8,10-hexaene
PubChem CID143757983
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Name2-azatetracyclo[8.5.0.03,8.012,14]pentadeca-1(15),2,4,6,8,10-hexaene
SMILESC1=c2cc3ccccc3nc2=CC2CC12
InChIInChI=1S/C14H11N/c1-2-4-13-9(3-1)5-12-7-10-6-11(10)8-14(12)15-13/h1-5,7-8,10-11H,6H2
InChIKeyPNQZKIDKXKJBJT-UHFFFAOYSA-N
XLogP1.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-azatetracyclo[8.5.0.03,8.012,14]pentadeca-1(15),2,4,6,8,10-hexaene with MolForge

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Related Compounds

15-Azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(15),2,4,6,8,11,13-heptaene
CID 54107119
2-methyl-9bH-benzo[de]quinoline
CID 58939804
10-Azatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 87394384
2,7-Dimethyl-6,7-dihydroquinoline
CID 89495201
2,6-Dimethyl-6,7-dihydroquinoline
CID 89495203
3,9-Dimethyl-2,3-dihydroacridine
CID 91447296
2,3-Dimethylidenequinoline
CID 91537528
2,3-Bis(ethenyl)-7-methyl-6,7-dihydroquinoline
CID 132196727
2-Propan-2-yl-6,6a-dihydrobenzo[h]quinoline
CID 134510249
Cyclohepta[b]quinoline
CID 139378880
2-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline
CID 141948912
2,4-dimethyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline;ethane
CID 142225187

Frequently Asked Questions

What is the IUPAC name of 2-azatetracyclo[8.5.0.03,8.012,14]pentadeca-1(15),2,4,6,8,10-hexaene?
The IUPAC name of 2-azatetracyclo[8.5.0.03,8.012,14]pentadeca-1(15),2,4,6,8,10-hexaene (CID 143757983) is 2-azatetracyclo[8.5.0.03,8.012,14]pentadeca-1(15),2,4,6,8,10-hexaene.
What is the SMILES notation for 2-azatetracyclo[8.5.0.03,8.012,14]pentadeca-1(15),2,4,6,8,10-hexaene?
The canonical SMILES for 2-azatetracyclo[8.5.0.03,8.012,14]pentadeca-1(15),2,4,6,8,10-hexaene is C1=c2cc3ccccc3nc2=CC2CC12.
What is the InChIKey of 2-azatetracyclo[8.5.0.03,8.012,14]pentadeca-1(15),2,4,6,8,10-hexaene?
The InChIKey is PNQZKIDKXKJBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c1-2-4-13-9(3-1)5-12-7-10-6-11(10)8-14(12)15-13/h1-5,7-8,10-11H,6H2.
What are the key properties of 2-azatetracyclo[8.5.0.03,8.012,14]pentadeca-1(15),2,4,6,8,10-hexaene?
2-azatetracyclo[8.5.0.03,8.012,14]pentadeca-1(15),2,4,6,8,10-hexaene has a molecular weight of 193.25 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azatetracyclo[8.5.0.03,8.012,14]pentadeca-1(15),2,4,6,8,10-hexaene is sourced from PubChem (CID 143757983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).