16-hydroxy-4,14,18-triazaheptacyclo[12.10.2.02,6.07,26.08,13.018,25.019,24]hexacosa-1,6,8,10,12,19,21,23,25-nonaen-3-one

C23H17N3O2 — CID 19917815

IUPAC16-hydroxy-4,14,18-triazaheptacyclo[12.10.2.02,6.07,26.08,13.018,25.019,24]hexacosa-1,6,8,10,12,19,21,23,25-nonaen-3-one
SMILESO=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CC(O)C3
InChIInChI=1S/C23H17N3O2/c27-12-10-25-16-7-3-1-5-13(16)18-15-9-24-23(28)20(15)19-14-6-2-4-8-17(14)26(11-12)22(19)21(18)25/h1-8,12,27H,9-11H2,(H,24,28)
InChIKeyWFJRRXIAEUUFPW-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.52
Rot. Bonds

About 16-hydroxy-4,14,18-triazaheptacyclo[12.10.2.02,6.07,26.08,13.018,25.019,24]hexacosa-1,6,8,10,12,19,21,23,25-nonaen-3-one

16-hydroxy-4,14,18-triazaheptacyclo[12.10.2.02,6.07,26.08,13.018,25.019,24]hexacosa-1,6,8,10,12,19,21,23,25-nonaen-3-one (PubChem CID 19917815) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 16-hydroxy-4,14,18-triazaheptacyclo[12.10.2.02,6.07,26.08,13.018,25.019,24]hexacosa-1,6,8,10,12,19,21,23,25-nonaen-3-one.

Molecular Properties

Compound Name16-hydroxy-4,14,18-triazaheptacyclo[12.10.2.02,6.07,26.08,13.018,25.019,24]hexacosa-1,6,8,10,12,19,21,23,25-nonaen-3-one
PubChem CID19917815
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name16-hydroxy-4,14,18-triazaheptacyclo[12.10.2.02,6.07,26.08,13.018,25.019,24]hexacosa-1,6,8,10,12,19,21,23,25-nonaen-3-one
SMILESO=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CC(O)C3
InChIInChI=1S/C23H17N3O2/c27-12-10-25-16-7-3-1-5-13(16)18-15-9-24-23(28)20(15)19-14-6-2-4-8-17(14)26(11-12)22(19)21(18)25/h1-8,12,27H,9-11H2,(H,24,28)
InChIKeyWFJRRXIAEUUFPW-UHFFFAOYSA-N
XLogP3.52
TPSA59.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 16-hydroxy-4,14,18-triazaheptacyclo[12.10.2.02,6.07,26.08,13.018,25.019,24]hexacosa-1,6,8,10,12,19,21,23,25-nonaen-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-hydroxy-4,14,18-triazaheptacyclo[12.10.2.02,6.07,26.08,13.018,25.019,24]hexacosa-1,6,8,10,12,19,21,23,25-nonaen-3-one?
The IUPAC name of 16-hydroxy-4,14,18-triazaheptacyclo[12.10.2.02,6.07,26.08,13.018,25.019,24]hexacosa-1,6,8,10,12,19,21,23,25-nonaen-3-one (CID 19917815) is 16-hydroxy-4,14,18-triazaheptacyclo[12.10.2.02,6.07,26.08,13.018,25.019,24]hexacosa-1,6,8,10,12,19,21,23,25-nonaen-3-one.
What is the SMILES notation for 16-hydroxy-4,14,18-triazaheptacyclo[12.10.2.02,6.07,26.08,13.018,25.019,24]hexacosa-1,6,8,10,12,19,21,23,25-nonaen-3-one?
The canonical SMILES for 16-hydroxy-4,14,18-triazaheptacyclo[12.10.2.02,6.07,26.08,13.018,25.019,24]hexacosa-1,6,8,10,12,19,21,23,25-nonaen-3-one is O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CC(O)C3.
What is the InChIKey of 16-hydroxy-4,14,18-triazaheptacyclo[12.10.2.02,6.07,26.08,13.018,25.019,24]hexacosa-1,6,8,10,12,19,21,23,25-nonaen-3-one?
The InChIKey is WFJRRXIAEUUFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c27-12-10-25-16-7-3-1-5-13(16)18-15-9-24-23(28)20(15)19-14-6-2-4-8-17(14)26(11-12)22(19)21(18)25/h1-8,12,27H,9-11H2,(H,24,28).
What are the key properties of 16-hydroxy-4,14,18-triazaheptacyclo[12.10.2.02,6.07,26.08,13.018,25.019,24]hexacosa-1,6,8,10,12,19,21,23,25-nonaen-3-one?
16-hydroxy-4,14,18-triazaheptacyclo[12.10.2.02,6.07,26.08,13.018,25.019,24]hexacosa-1,6,8,10,12,19,21,23,25-nonaen-3-one has a molecular weight of 367.41 g/mol, XLogP of 3.52, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-hydroxy-4,14,18-triazaheptacyclo[12.10.2.02,6.07,26.08,13.018,25.019,24]hexacosa-1,6,8,10,12,19,21,23,25-nonaen-3-one is sourced from PubChem (CID 19917815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).