5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,6,10,13(17),14-hexaene

C15H14N2 — CID 91529404

IUPAC5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,6,10,13(17),14-hexaene
SMILESC1=CN2CC3=CN=CCC3=C3CC=CC(=C32)C1
InChIInChI=1S/C15H14N2/c1-3-11-4-2-8-17-10-12-9-16-7-6-13(12)14(5-1)15(11)17/h1-3,7-9H,4-6,10H2
InChIKeyNUJOUGPJPNKPPV-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.09
Rot. Bonds

About 5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,6,10,13(17),14-hexaene

5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,6,10,13(17),14-hexaene (PubChem CID 91529404) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,6,10,13(17),14-hexaene.

Molecular Properties

Compound Name5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,6,10,13(17),14-hexaene
PubChem CID91529404
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,6,10,13(17),14-hexaene
SMILESC1=CN2CC3=CN=CCC3=C3CC=CC(=C32)C1
InChIInChI=1S/C15H14N2/c1-3-11-4-2-8-17-10-12-9-16-7-6-13(12)14(5-1)15(11)17/h1-3,7-9H,4-6,10H2
InChIKeyNUJOUGPJPNKPPV-UHFFFAOYSA-N
XLogP3.09
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,6,10,13(17),14-hexaene with MolForge

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Related Compounds

Pyrazino[1,2-b]isoquinoline
CID 118184971
5h-Benzo(e)pyrido-(4,3)-indole
CID 129721092
6,7-Dihydroindolo[2,3-a]quinolizine
CID 85538892
1,4-Diazatricyclo[7.3.1.05,13]trideca-3,5,7,9,11-pentaene
CID 18921534
1,4-Diazatricyclo[7.3.1.05,13]trideca-3,5(13),6,9,11-pentaene
CID 57207223
1,4-Diazatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene
CID 69345662
1,5-Diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2,4,6,8,11,13(17),15-heptaene
CID 88178953
1H-isoquinolino[2,1-g][1,6]naphthyridine
CID 88482908
6H-isoquinolino[2,1-g][1,6]naphthyridine
CID 88482910
1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride
CID 88612037
6H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride
CID 88612038
2-Methylpyrrolo[2,3-h]isoquinoline
CID 88721001

Frequently Asked Questions

What is the IUPAC name of 5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,6,10,13(17),14-hexaene?
The IUPAC name of 5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,6,10,13(17),14-hexaene (CID 91529404) is 5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,6,10,13(17),14-hexaene.
What is the SMILES notation for 5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,6,10,13(17),14-hexaene?
The canonical SMILES for 5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,6,10,13(17),14-hexaene is C1=CN2CC3=CN=CCC3=C3CC=CC(=C32)C1.
What is the InChIKey of 5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,6,10,13(17),14-hexaene?
The InChIKey is NUJOUGPJPNKPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-3-11-4-2-8-17-10-12-9-16-7-6-13(12)14(5-1)15(11)17/h1-3,7-9H,4-6,10H2.
What are the key properties of 5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,6,10,13(17),14-hexaene?
5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,6,10,13(17),14-hexaene has a molecular weight of 222.29 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,6,10,13(17),14-hexaene is sourced from PubChem (CID 91529404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).