2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile

C15H7N3O2 — CID 142432599

IUPAC2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile
SMILESN#Cc1ccc2[nH]c3c(c(=O)c2c1)C(=O)n1cccc1-3
InChIInChI=1S/C15H7N3O2/c16-7-8-3-4-10-9(6-8)14(19)12-13(17-10)11-2-1-5-18(11)15(12)20/h1-6H,(H,17,19)
InChIKeyVKBURGWKLUVDIV-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.87
Rot. Bonds

About 2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile

2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile (PubChem CID 142432599) has the molecular formula C15H7N3O2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile.

Molecular Properties

Compound Name2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile
PubChem CID142432599
Molecular FormulaC15H7N3O2
Molecular Weight261.24 g/mol
Exact Mass261.05
IUPAC Name2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile
SMILESN#Cc1ccc2[nH]c3c(c(=O)c2c1)C(=O)n1cccc1-3
InChIInChI=1S/C15H7N3O2/c16-7-8-3-4-10-9(6-8)14(19)12-13(17-10)11-2-1-5-18(11)15(12)20/h1-6H,(H,17,19)
InChIKeyVKBURGWKLUVDIV-UHFFFAOYSA-N
XLogP1.87
TPSA78.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile 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

9-(4-fluorophenyl)-2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile
CID 142432585
2-(4-fluorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile
CID 155762283
9H-carbazole-3-carbonitrile
CID 21107343
9H-carbazole-3-carbonitrile;hydrochloride
CID 153357556
2-(4-chlorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile
CID 155762154
12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-7,19-dicarbonitrile
CID 147368491
4-[3-(3,4-dichlorophenyl)-4-oxo-1H-quinolin-2-yl]benzonitrile
CID 122395916
4,5,9,10-tetraoxopyrene-2-carbonitrile
CID 175588919
4-[(5-fluoro-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaen-2-yl)oxymethyl]benzonitrile
CID 155762145
9-(6-bromo-9H-carbazol-3-yl)carbazole-3-carbonitrile
CID 122498912
2,3-dimethyl-1H-indole-5-carbonitrile
CID 15483079
6-cyano-4-oxo-1H-quinoline-2-carboxylic acid
CID 21099564

Frequently Asked Questions

What is the IUPAC name of 2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile?
The IUPAC name of 2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile (CID 142432599) is 2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile.
What is the SMILES notation for 2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile?
The canonical SMILES for 2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile is N#Cc1ccc2[nH]c3c(c(=O)c2c1)C(=O)n1cccc1-3.
What is the InChIKey of 2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile?
The InChIKey is VKBURGWKLUVDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7N3O2/c16-7-8-3-4-10-9(6-8)14(19)12-13(17-10)11-2-1-5-18(11)15(12)20/h1-6H,(H,17,19).
What are the key properties of 2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile?
2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile has a molecular weight of 261.24 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile is sourced from PubChem (CID 142432599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).