4,15-diazapentacyclo[12.7.0.02,6.07,12.016,21]henicosa-1(14),2(6),7,9,11,16,18,20-octaene-3,5,13-trione

C19H10N2O3 — CID 24763829

IUPAC4,15-diazapentacyclo[12.7.0.02,6.07,12.016,21]henicosa-1(14),2(6),7,9,11,16,18,20-octaene-3,5,13-trione
SMILESO=C1NC(=O)c2c1c1ccccc1c(=O)c1[nH]c3ccccc3c21
InChIInChI=1S/C19H10N2O3/c22-17-10-6-2-1-5-9(10)14-15(19(24)21-18(14)23)13-11-7-3-4-8-12(11)20-16(13)17/h1-8,20H,(H,21,23,24)
InChIKeySAKOIDFGUOZHKF-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.72
Rot. Bonds

About 4,15-diazapentacyclo[12.7.0.02,6.07,12.016,21]henicosa-1(14),2(6),7,9,11,16,18,20-octaene-3,5,13-trione

4,15-diazapentacyclo[12.7.0.02,6.07,12.016,21]henicosa-1(14),2(6),7,9,11,16,18,20-octaene-3,5,13-trione (PubChem CID 24763829) has the molecular formula C19H10N2O3 and a molecular weight of 314.30 g/mol. Its IUPAC name is 4,15-diazapentacyclo[12.7.0.02,6.07,12.016,21]henicosa-1(14),2(6),7,9,11,16,18,20-octaene-3,5,13-trione.

Molecular Properties

Compound Name4,15-diazapentacyclo[12.7.0.02,6.07,12.016,21]henicosa-1(14),2(6),7,9,11,16,18,20-octaene-3,5,13-trione
PubChem CID24763829
Molecular FormulaC19H10N2O3
Molecular Weight314.30 g/mol
Exact Mass314.07
IUPAC Name4,15-diazapentacyclo[12.7.0.02,6.07,12.016,21]henicosa-1(14),2(6),7,9,11,16,18,20-octaene-3,5,13-trione
SMILESO=C1NC(=O)c2c1c1ccccc1c(=O)c1[nH]c3ccccc3c21
InChIInChI=1S/C19H10N2O3/c22-17-10-6-2-1-5-9(10)14-15(19(24)21-18(14)23)13-11-7-3-4-8-12(11)20-16(13)17/h1-8,20H,(H,21,23,24)
InChIKeySAKOIDFGUOZHKF-UHFFFAOYSA-N
XLogP2.72
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,15-diazapentacyclo[12.7.0.02,6.07,12.016,21]henicosa-1(14),2(6),7,9,11,16,18,20-octaene-3,5,13-trione 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

3-thia-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione
CID 11022687
6-hydroxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
CID 11782794
6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione
CID 51038700
17-methoxy-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione
CID 11067046
17-(trifluoromethyl)-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione
CID 11759995
23-methyl-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 67550909
5-hydroxy-3,5,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,3,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 67807092
6-bromo-3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
CID 165437424
4-ethenyl-5-[(Z)-prop-1-enyl]-3,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione
CID 142254198
3-methylcyclohexene;3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 142254189
6-chloro-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione;cyclopentane-1,2-diol
CID 142254288
3,12,14,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-13-one
CID 10638837

Frequently Asked Questions

What is the IUPAC name of 4,15-diazapentacyclo[12.7.0.02,6.07,12.016,21]henicosa-1(14),2(6),7,9,11,16,18,20-octaene-3,5,13-trione?
The IUPAC name of 4,15-diazapentacyclo[12.7.0.02,6.07,12.016,21]henicosa-1(14),2(6),7,9,11,16,18,20-octaene-3,5,13-trione (CID 24763829) is 4,15-diazapentacyclo[12.7.0.02,6.07,12.016,21]henicosa-1(14),2(6),7,9,11,16,18,20-octaene-3,5,13-trione.
What is the SMILES notation for 4,15-diazapentacyclo[12.7.0.02,6.07,12.016,21]henicosa-1(14),2(6),7,9,11,16,18,20-octaene-3,5,13-trione?
The canonical SMILES for 4,15-diazapentacyclo[12.7.0.02,6.07,12.016,21]henicosa-1(14),2(6),7,9,11,16,18,20-octaene-3,5,13-trione is O=C1NC(=O)c2c1c1ccccc1c(=O)c1[nH]c3ccccc3c21.
What is the InChIKey of 4,15-diazapentacyclo[12.7.0.02,6.07,12.016,21]henicosa-1(14),2(6),7,9,11,16,18,20-octaene-3,5,13-trione?
The InChIKey is SAKOIDFGUOZHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10N2O3/c22-17-10-6-2-1-5-9(10)14-15(19(24)21-18(14)23)13-11-7-3-4-8-12(11)20-16(13)17/h1-8,20H,(H,21,23,24).
What are the key properties of 4,15-diazapentacyclo[12.7.0.02,6.07,12.016,21]henicosa-1(14),2(6),7,9,11,16,18,20-octaene-3,5,13-trione?
4,15-diazapentacyclo[12.7.0.02,6.07,12.016,21]henicosa-1(14),2(6),7,9,11,16,18,20-octaene-3,5,13-trione has a molecular weight of 314.30 g/mol, XLogP of 2.72, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,15-diazapentacyclo[12.7.0.02,6.07,12.016,21]henicosa-1(14),2(6),7,9,11,16,18,20-octaene-3,5,13-trione is sourced from PubChem (CID 24763829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).