15-(1H-imidazol-2-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione

C19H11N3O2 — CID 10267564

IUPAC15-(1H-imidazol-2-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESO=C1c2cccc3cc4ccccc4c(c23)C(=O)N1c1ncc[nH]1
InChIInChI=1S/C19H11N3O2/c23-17-14-7-3-5-12-10-11-4-1-2-6-13(11)16(15(12)14)18(24)22(17)19-20-8-9-21-19/h1-10H,(H,20,21)
InChIKeyWXKNUFXBBNOMTM-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.52
Rot. Bonds1

About 15-(1H-imidazol-2-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione

15-(1H-imidazol-2-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (PubChem CID 10267564) has the molecular formula C19H11N3O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 15-(1H-imidazol-2-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione.

Molecular Properties

Compound Name15-(1H-imidazol-2-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
PubChem CID10267564
Molecular FormulaC19H11N3O2
Molecular Weight313.32 g/mol
Exact Mass313.09
IUPAC Name15-(1H-imidazol-2-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESO=C1c2cccc3cc4ccccc4c(c23)C(=O)N1c1ncc[nH]1
InChIInChI=1S/C19H11N3O2/c23-17-14-7-3-5-12-10-11-4-1-2-6-13(11)16(15(12)14)18(24)22(17)19-20-8-9-21-19/h1-10H,(H,20,21)
InChIKeyWXKNUFXBBNOMTM-UHFFFAOYSA-N
XLogP3.52
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 15-(1H-imidazol-2-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione with MolForge

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Related Compounds

15-[3-[3-(14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-15-yl)propylamino]propyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 10555414
15-[4-amino-7-(14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-15-yl)heptyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 21460423
15-[2-[5-[2-(14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-15-yl)ethylamino]pentylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 10651830
3-oxobenzo[j]phenalene-1,2-dicarbonitrile
CID 71724669
5-nitro-2-pyridin-2-ylbenzo[de]isoquinoline-1,3-dione
CID 762418
15-(1-ethylpiperidin-3-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 10473583
2-naphthalen-2-yl-6-pyridin-2-ylbenzo[de]isoquinoline-1,3-dione
CID 137492195
6,13-dinaphthalen-1-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 101065257
benzo[j]aceanthrylene-1,2-dione
CID 13450607
undecacyclo[27.11.1.111,15.02,28.04,26.05,23.08,22.010,20.030,35.037,41.019,42]dotetraconta-1(40),2(28),3,5(23),6,8,10(20),11,13,15(42),16,18,21,24,26,29(41),30,32,34,36,38-henicosaene
CID 163913395
10-amino-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 11724386
gadolinium;2-hydroxybenzo[de]isoquinoline-1,3-dione
CID 174736073

Frequently Asked Questions

What is the IUPAC name of 15-(1H-imidazol-2-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
The IUPAC name of 15-(1H-imidazol-2-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (CID 10267564) is 15-(1H-imidazol-2-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione.
What is the SMILES notation for 15-(1H-imidazol-2-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
The canonical SMILES for 15-(1H-imidazol-2-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione is O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1c1ncc[nH]1.
What is the InChIKey of 15-(1H-imidazol-2-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
The InChIKey is WXKNUFXBBNOMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O2/c23-17-14-7-3-5-12-10-11-4-1-2-6-13(11)16(15(12)14)18(24)22(17)19-20-8-9-21-19/h1-10H,(H,20,21).
What are the key properties of 15-(1H-imidazol-2-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
15-(1H-imidazol-2-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione has a molecular weight of 313.32 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(1H-imidazol-2-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione is sourced from PubChem (CID 10267564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).