6,13-diiodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione

C14H4I2N2O2 — CID 141320844

IUPAC6,13-diiodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione
SMILESO=c1nc2cc(I)cc3c(=O)nc4cc(I)cc1c4=c23
InChIInChI=1S/C14H4I2N2O2/c15-5-1-7-11-9(3-5)18-14(20)8-2-6(16)4-10(12(8)11)17-13(7)19/h1-4H
InChIKeyNBBYWKCHBVWVJA-UHFFFAOYSA-N
MW486.01 g/mol
LogP2.31
Rot. Bonds

About 6,13-diiodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione

6,13-diiodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione (PubChem CID 141320844) has the molecular formula C14H4I2N2O2 and a molecular weight of 486.01 g/mol. Its IUPAC name is 6,13-diiodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione.

Molecular Properties

Compound Name6,13-diiodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione
PubChem CID141320844
Molecular FormulaC14H4I2N2O2
Molecular Weight486.01 g/mol
Exact Mass485.84
IUPAC Name6,13-diiodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione
SMILESO=c1nc2cc(I)cc3c(=O)nc4cc(I)cc1c4=c23
InChIInChI=1S/C14H4I2N2O2/c15-5-1-7-11-9(3-5)18-14(20)8-2-6(16)4-10(12(8)11)17-13(7)19/h1-4H
InChIKeyNBBYWKCHBVWVJA-UHFFFAOYSA-N
XLogP2.31
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.01
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6,13-diiodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione with MolForge

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Related Compounds

2,9-Diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione
CID 85436629
6-iodo-8H-quinazolin-4-one
CID 91423193
5-Iodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione
CID 141320841
5,7-Didodecyl-6,13-diiodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione
CID 141320845
5-Dodecyl-6,13-diiodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione
CID 141320851
2-Amino-6-iodo-8-methylidenequinazolin-4-one
CID 72756568
6,8-diiodo-8H-quinazolin-4-one
CID 76844821
8-iodo-8H-quinazolin-4-one
CID 77519919

Frequently Asked Questions

What is the IUPAC name of 6,13-diiodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione?
The IUPAC name of 6,13-diiodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione (CID 141320844) is 6,13-diiodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione.
What is the SMILES notation for 6,13-diiodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione?
The canonical SMILES for 6,13-diiodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione is O=c1nc2cc(I)cc3c(=O)nc4cc(I)cc1c4=c23.
What is the InChIKey of 6,13-diiodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione?
The InChIKey is NBBYWKCHBVWVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4I2N2O2/c15-5-1-7-11-9(3-5)18-14(20)8-2-6(16)4-10(12(8)11)17-13(7)19/h1-4H.
What are the key properties of 6,13-diiodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione?
6,13-diiodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione has a molecular weight of 486.01 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-diiodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione is sourced from PubChem (CID 141320844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).