3,10,17,24-tetrazapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(24),2,4,6,8,18,20,22-octaene-13,14-diol

C20H20N4O2 — CID 122388801

IUPAC3,10,17,24-tetrazapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(24),2,4,6,8,18,20,22-octaene-13,14-diol
SMILESOC1CCn2c(nc3ccccc32)-c2nc3ccccc3n2CCC1O
InChIInChI=1S/C20H20N4O2/c25-17-9-11-23-15-7-3-1-5-13(15)21-19(23)20-22-14-6-2-4-8-16(14)24(20)12-10-18(17)26/h1-8,17-18,25-26H,9-12H2
InChIKeyGQPVCSFGRAMUMQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.57
Rot. Bonds

About 3,10,17,24-tetrazapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(24),2,4,6,8,18,20,22-octaene-13,14-diol

3,10,17,24-tetrazapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(24),2,4,6,8,18,20,22-octaene-13,14-diol (PubChem CID 122388801) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3,10,17,24-tetrazapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(24),2,4,6,8,18,20,22-octaene-13,14-diol.

Molecular Properties

Compound Name3,10,17,24-tetrazapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(24),2,4,6,8,18,20,22-octaene-13,14-diol
PubChem CID122388801
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3,10,17,24-tetrazapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(24),2,4,6,8,18,20,22-octaene-13,14-diol
SMILESOC1CCn2c(nc3ccccc32)-c2nc3ccccc3n2CCC1O
InChIInChI=1S/C20H20N4O2/c25-17-9-11-23-15-7-3-1-5-13(15)21-19(23)20-22-14-6-2-4-8-16(14)24(20)12-10-18(17)26/h1-8,17-18,25-26H,9-12H2
InChIKeyGQPVCSFGRAMUMQ-UHFFFAOYSA-N
XLogP2.57
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,10,17,24-tetrazapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(24),2,4,6,8,18,20,22-octaene-13,14-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,10,17,24-tetrazapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(24),2,4,6,8,18,20,22-octaene-13,14-diol?
The IUPAC name of 3,10,17,24-tetrazapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(24),2,4,6,8,18,20,22-octaene-13,14-diol (CID 122388801) is 3,10,17,24-tetrazapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(24),2,4,6,8,18,20,22-octaene-13,14-diol.
What is the SMILES notation for 3,10,17,24-tetrazapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(24),2,4,6,8,18,20,22-octaene-13,14-diol?
The canonical SMILES for 3,10,17,24-tetrazapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(24),2,4,6,8,18,20,22-octaene-13,14-diol is OC1CCn2c(nc3ccccc32)-c2nc3ccccc3n2CCC1O.
What is the InChIKey of 3,10,17,24-tetrazapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(24),2,4,6,8,18,20,22-octaene-13,14-diol?
The InChIKey is GQPVCSFGRAMUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-17-9-11-23-15-7-3-1-5-13(15)21-19(23)20-22-14-6-2-4-8-16(14)24(20)12-10-18(17)26/h1-8,17-18,25-26H,9-12H2.
What are the key properties of 3,10,17,24-tetrazapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(24),2,4,6,8,18,20,22-octaene-13,14-diol?
3,10,17,24-tetrazapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(24),2,4,6,8,18,20,22-octaene-13,14-diol has a molecular weight of 348.41 g/mol, XLogP of 2.57, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10,17,24-tetrazapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(24),2,4,6,8,18,20,22-octaene-13,14-diol is sourced from PubChem (CID 122388801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).