12-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,7,9,11,15,18,20,22-nonaene-6,14-dione

C20H10N2O5 — CID 135482345

IUPAC12-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,7,9,11,15,18,20,22-nonaene-6,14-dione
SMILESO=c1ccc2c(c1)[nH]c1c3oc4ccccc4oc3c3c(=O)[nH]c(O)c3c21
InChIInChI=1S/C20H10N2O5/c23-8-5-6-9-10(7-8)21-16-13(9)14-15(20(25)22-19(14)24)17-18(16)27-12-4-2-1-3-11(12)26-17/h1-7,21,24H,(H,22,25)
InChIKeyJMMLOESQFODGPP-UHFFFAOYSA-N
MW358.31 g/mol
LogP3.72
Rot. Bonds

About 12-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,7,9,11,15,18,20,22-nonaene-6,14-dione

12-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,7,9,11,15,18,20,22-nonaene-6,14-dione (PubChem CID 135482345) has the molecular formula C20H10N2O5 and a molecular weight of 358.31 g/mol. Its IUPAC name is 12-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,7,9,11,15,18,20,22-nonaene-6,14-dione.

Molecular Properties

Compound Name12-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,7,9,11,15,18,20,22-nonaene-6,14-dione
PubChem CID135482345
Molecular FormulaC20H10N2O5
Molecular Weight358.31 g/mol
Exact Mass358.06
IUPAC Name12-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,7,9,11,15,18,20,22-nonaene-6,14-dione
SMILESO=c1ccc2c(c1)[nH]c1c3oc4ccccc4oc3c3c(=O)[nH]c(O)c3c21
InChIInChI=1S/C20H10N2O5/c23-8-5-6-9-10(7-8)21-16-13(9)14-15(20(25)22-19(14)24)17-18(16)27-12-4-2-1-3-11(12)26-17/h1-7,21,24H,(H,22,25)
InChIKeyJMMLOESQFODGPP-UHFFFAOYSA-N
XLogP3.72
TPSA112.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 12-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,7,9,11,15,18,20,22-nonaene-6,14-dione 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 12-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,7,9,11,15,18,20,22-nonaene-6,14-dione?
The IUPAC name of 12-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,7,9,11,15,18,20,22-nonaene-6,14-dione (CID 135482345) is 12-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,7,9,11,15,18,20,22-nonaene-6,14-dione.
What is the SMILES notation for 12-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,7,9,11,15,18,20,22-nonaene-6,14-dione?
The canonical SMILES for 12-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,7,9,11,15,18,20,22-nonaene-6,14-dione is O=c1ccc2c(c1)[nH]c1c3oc4ccccc4oc3c3c(=O)[nH]c(O)c3c21.
What is the InChIKey of 12-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,7,9,11,15,18,20,22-nonaene-6,14-dione?
The InChIKey is JMMLOESQFODGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10N2O5/c23-8-5-6-9-10(7-8)21-16-13(9)14-15(20(25)22-19(14)24)17-18(16)27-12-4-2-1-3-11(12)26-17/h1-7,21,24H,(H,22,25).
What are the key properties of 12-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,7,9,11,15,18,20,22-nonaene-6,14-dione?
12-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,7,9,11,15,18,20,22-nonaene-6,14-dione has a molecular weight of 358.31 g/mol, XLogP of 3.72, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,7,9,11,15,18,20,22-nonaene-6,14-dione is sourced from PubChem (CID 135482345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).