23-(hydroxymethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18(26),19,21-nonaene-13,15-dione

C24H17N3O3 — CID 5330690

IUPAC23-(hydroxymethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18(26),19,21-nonaene-13,15-dione
SMILESO=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2cccc3c2n1CCC3CO
InChIInChI=1S/C24H17N3O3/c28-10-11-8-9-27-21-12(11)5-3-6-14(21)17-19-18(23(29)26-24(19)30)16-13-4-1-2-7-15(13)25-20(16)22(17)27/h1-7,11,25,28H,8-10H2,(H,26,29,30)
InChIKeyOELQUMLEFCYDQY-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.79
Rot. Bonds1

About 23-(hydroxymethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18(26),19,21-nonaene-13,15-dione

23-(hydroxymethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18(26),19,21-nonaene-13,15-dione (PubChem CID 5330690) has the molecular formula C24H17N3O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 23-(hydroxymethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18(26),19,21-nonaene-13,15-dione.

Molecular Properties

Compound Name23-(hydroxymethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18(26),19,21-nonaene-13,15-dione
PubChem CID5330690
Molecular FormulaC24H17N3O3
Molecular Weight395.42 g/mol
Exact Mass395.13
IUPAC Name23-(hydroxymethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18(26),19,21-nonaene-13,15-dione
SMILESO=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2cccc3c2n1CCC3CO
InChIInChI=1S/C24H17N3O3/c28-10-11-8-9-27-21-12(11)5-3-6-14(21)17-19-18(23(29)26-24(19)30)16-13-4-1-2-7-15(13)25-20(16)22(17)27/h1-7,11,25,28H,8-10H2,(H,26,29,30)
InChIKeyOELQUMLEFCYDQY-UHFFFAOYSA-N
XLogP3.79
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 23-(hydroxymethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18(26),19,21-nonaene-13,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 23-(hydroxymethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18(26),19,21-nonaene-13,15-dione?
The IUPAC name of 23-(hydroxymethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18(26),19,21-nonaene-13,15-dione (CID 5330690) is 23-(hydroxymethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18(26),19,21-nonaene-13,15-dione.
What is the SMILES notation for 23-(hydroxymethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18(26),19,21-nonaene-13,15-dione?
The canonical SMILES for 23-(hydroxymethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18(26),19,21-nonaene-13,15-dione is O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2cccc3c2n1CCC3CO.
What is the InChIKey of 23-(hydroxymethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18(26),19,21-nonaene-13,15-dione?
The InChIKey is OELQUMLEFCYDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3/c28-10-11-8-9-27-21-12(11)5-3-6-14(21)17-19-18(23(29)26-24(19)30)16-13-4-1-2-7-15(13)25-20(16)22(17)27/h1-7,11,25,28H,8-10H2,(H,26,29,30).
What are the key properties of 23-(hydroxymethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18(26),19,21-nonaene-13,15-dione?
23-(hydroxymethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18(26),19,21-nonaene-13,15-dione has a molecular weight of 395.42 g/mol, XLogP of 3.79, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(hydroxymethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18(26),19,21-nonaene-13,15-dione is sourced from PubChem (CID 5330690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).