14-iodo-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione

C14H6IN3O2 — CID 505836

IUPAC14-iodo-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione
SMILESO=C1c2cc(I)ccc2-n2c1nc1cnccc1c2=O
InChIInChI=1S/C14H6IN3O2/c15-7-1-2-11-9(5-7)12(19)13-17-10-6-16-4-3-8(10)14(20)18(11)13/h1-6H
InChIKeyZYUDKXIFGIQSRG-UHFFFAOYSA-N
MW375.13 g/mol
LogP1.93
Rot. Bonds

About 14-iodo-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione

14-iodo-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione (PubChem CID 505836) has the molecular formula C14H6IN3O2 and a molecular weight of 375.13 g/mol. Its IUPAC name is 14-iodo-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione.

Molecular Properties

Compound Name14-iodo-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione
PubChem CID505836
Molecular FormulaC14H6IN3O2
Molecular Weight375.13 g/mol
Exact Mass374.95
IUPAC Name14-iodo-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione
SMILESO=C1c2cc(I)ccc2-n2c1nc1cnccc1c2=O
InChIInChI=1S/C14H6IN3O2/c15-7-1-2-11-9(5-7)12(19)13-17-10-6-16-4-3-8(10)14(20)18(11)13/h1-6H
InChIKeyZYUDKXIFGIQSRG-UHFFFAOYSA-N
XLogP1.93
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.13
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 14-iodo-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione with MolForge

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Related Compounds

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CID 505842
4(3H)-Quinazolinone, 2-(2-oxo-2-(3-pyridinyl)ethyl)-3-phenyl-
CID 63272
4(3H)-Quinazolinone, 3-(2-methylphenyl)-2-(2-oxo-2-(4-pyridinyl)ethyl)-
CID 63514
4(3H)-Quinazolinone, 3-(2-methylphenyl)-2-(2-oxo-2-(2-pyridinyl)ethyl)-
CID 64068
2-{[4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl]methyl}-1H-isoindole-1,3(2H)-dione
CID 659588
2-(4-Methylphenyl)-3-pyridin-3-ylquinazolin-4-one
CID 743603

Frequently Asked Questions

What is the IUPAC name of 14-iodo-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione?
The IUPAC name of 14-iodo-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione (CID 505836) is 14-iodo-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione.
What is the SMILES notation for 14-iodo-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione?
The canonical SMILES for 14-iodo-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione is O=C1c2cc(I)ccc2-n2c1nc1cnccc1c2=O.
What is the InChIKey of 14-iodo-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione?
The InChIKey is ZYUDKXIFGIQSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6IN3O2/c15-7-1-2-11-9(5-7)12(19)13-17-10-6-16-4-3-8(10)14(20)18(11)13/h1-6H.
What are the key properties of 14-iodo-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione?
14-iodo-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione has a molecular weight of 375.13 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-iodo-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione is sourced from PubChem (CID 505836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).