8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,7,9,11,13,15-octaen-6-one

C15H8N2O — CID 141315799

IUPAC8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,7,9,11,13,15-octaen-6-one
SMILESO=C1C=CC=c2c1nc1cccc3nccc2c31
InChIInChI=1S/C15H8N2O/c18-13-6-1-3-10-9-7-8-16-11-4-2-5-12(14(9)11)17-15(10)13/h1-8H
InChIKeyAHXHZAOQSAANGA-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.03
Rot. Bonds

About 8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,7,9,11,13,15-octaen-6-one

8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,7,9,11,13,15-octaen-6-one (PubChem CID 141315799) has the molecular formula C15H8N2O and a molecular weight of 232.24 g/mol. Its IUPAC name is 8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,7,9,11,13,15-octaen-6-one.

Molecular Properties

Compound Name8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,7,9,11,13,15-octaen-6-one
PubChem CID141315799
Molecular FormulaC15H8N2O
Molecular Weight232.24 g/mol
Exact Mass232.06
IUPAC Name8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,7,9,11,13,15-octaen-6-one
SMILESO=C1C=CC=c2c1nc1cccc3nccc2c31
InChIInChI=1S/C15H8N2O/c18-13-6-1-3-10-9-7-8-16-11-4-2-5-12(14(9)11)17-15(10)13/h1-8H
InChIKeyAHXHZAOQSAANGA-UHFFFAOYSA-N
XLogP2.03
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-amino-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one
CID 10944751
10,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,6,9,11,13(21),14,16,18-decaen-8-one
CID 23245300
4,5-diethylquinoline
CID 154662761
3-hydroxy-10,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,5,9,11,13(21),14,16,18-decaen-8-one
CID 136734684
7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-6-one
CID 121217424
3-bromo-6,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,6,9,11,13(21),14,16,18-decaen-8-one
CID 10872144
nickel(2+);quinoline;diiodide
CID 162206226
2,12,17-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14(19),15,17-decaen-20-one
CID 122207278
5,12-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene;5,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene
CID 175392116
pyrene;quinoxaline
CID 160801316
chromium(2+);tris(nitric acid);2,5,15,18-tetrazapentacyclo[17.7.1.16,10.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene
CID 46700882
5-hydroxy-10,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,5,9,11,13(21),14,16,18-decaen-8-one
CID 136734685

Frequently Asked Questions

What is the IUPAC name of 8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,7,9,11,13,15-octaen-6-one?
The IUPAC name of 8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,7,9,11,13,15-octaen-6-one (CID 141315799) is 8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,7,9,11,13,15-octaen-6-one.
What is the SMILES notation for 8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,7,9,11,13,15-octaen-6-one?
The canonical SMILES for 8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,7,9,11,13,15-octaen-6-one is O=C1C=CC=c2c1nc1cccc3nccc2c31.
What is the InChIKey of 8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,7,9,11,13,15-octaen-6-one?
The InChIKey is AHXHZAOQSAANGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O/c18-13-6-1-3-10-9-7-8-16-11-4-2-5-12(14(9)11)17-15(10)13/h1-8H.
What are the key properties of 8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,7,9,11,13,15-octaen-6-one?
8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,7,9,11,13,15-octaen-6-one has a molecular weight of 232.24 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,7,9,11,13,15-octaen-6-one is sourced from PubChem (CID 141315799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).