6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

C13H8N4 — CID 171053458

IUPAC6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESc1cc2cc3[nH]c4cnccc4c3nc2cn1
InChIInChI=1S/C13H8N4/c1-3-14-6-11-8(1)5-10-13(17-11)9-2-4-15-7-12(9)16-10/h1-7,16H
InChIKeyJNMPICYOUMCXEF-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.66
Rot. Bonds

About 6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 171053458) has the molecular formula C13H8N4 and a molecular weight of 220.24 g/mol. Its IUPAC name is 6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

Compound Name6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
PubChem CID171053458
Molecular FormulaC13H8N4
Molecular Weight220.24 g/mol
Exact Mass220.07
IUPAC Name6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESc1cc2cc3[nH]c4cnccc4c3nc2cn1
InChIInChI=1S/C13H8N4/c1-3-14-6-11-8(1)5-10-13(17-11)9-2-4-15-7-12(9)16-10/h1-7,16H
InChIKeyJNMPICYOUMCXEF-UHFFFAOYSA-N
XLogP2.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene with MolForge

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Related Compounds

7-chloro-9H-pyrido[3,4-b]indole
CID 22185281
2-(4-methylpiperazin-1-yl)-6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaene
CID 171053449
6-phenyl-9H-pyrido[3,4-b]indole
CID 122607643
7-(9H-pyrido[3,4-b]indol-7-yloxy)-9H-pyrido[3,4-b]indole
CID 135314461
[4-(6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaen-2-ylamino)phenyl]methanol
CID 171053445
5,7-dimethyl-9H-pyrido[3,4-b]indole
CID 22566324
9H-pyrido[3,4-b]indole-7-carbonitrile
CID 22185223
N,N-diphenyl-9H-pyrido[3,4-b]indol-6-amine
CID 167339450
9H-pyrido[3,4-b]indole-6-carbaldehyde
CID 18671949
4-bromo-1H-1,7-naphthyridin-2-one
CID 66631901
2-phenyl-1H-pyrrolo[2,3-c]pyridine
CID 11480986
2-iodo-10H-indolo[3,2-b]quinoline
CID 101386213

Frequently Asked Questions

What is the IUPAC name of 6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The IUPAC name of 6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 171053458) is 6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.
What is the SMILES notation for 6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The canonical SMILES for 6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is c1cc2cc3[nH]c4cnccc4c3nc2cn1.
What is the InChIKey of 6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The InChIKey is JNMPICYOUMCXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4/c1-3-14-6-11-8(1)5-10-13(17-11)9-2-4-15-7-12(9)16-10/h1-7,16H.
What are the key properties of 6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene has a molecular weight of 220.24 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is sourced from PubChem (CID 171053458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).