14-cyclohexyl-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

C18H17N3O4 — CID 71705107

IUPAC14-cyclohexyl-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESO=c1ccc2c(oc3cc4c(=O)[nH]n(C5CCCCC5)c4[nH]c32)c1O
InChIInChI=1S/C18H17N3O4/c22-12-7-6-10-14-13(25-16(10)15(12)23)8-11-17(19-14)21(20-18(11)24)9-4-2-1-3-5-9/h6-9,19,23H,1-5H2,(H,20,24)
InChIKeyPSDLCCJRMZNOBT-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.13
Rot. Bonds1

About 14-cyclohexyl-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

14-cyclohexyl-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (PubChem CID 71705107) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 14-cyclohexyl-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.

Molecular Properties

Compound Name14-cyclohexyl-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
PubChem CID71705107
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name14-cyclohexyl-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESO=c1ccc2c(oc3cc4c(=O)[nH]n(C5CCCCC5)c4[nH]c32)c1O
InChIInChI=1S/C18H17N3O4/c22-12-7-6-10-14-13(25-16(10)15(12)23)8-11-17(19-14)21(20-18(11)24)9-4-2-1-3-5-9/h6-9,19,23H,1-5H2,(H,20,24)
InChIKeyPSDLCCJRMZNOBT-UHFFFAOYSA-N
XLogP3.13
TPSA104.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 14-cyclohexyl-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-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 14-cyclohexyl-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The IUPAC name of 14-cyclohexyl-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (CID 71705107) is 14-cyclohexyl-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.
What is the SMILES notation for 14-cyclohexyl-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The canonical SMILES for 14-cyclohexyl-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is O=c1ccc2c(oc3cc4c(=O)[nH]n(C5CCCCC5)c4[nH]c32)c1O.
What is the InChIKey of 14-cyclohexyl-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The InChIKey is PSDLCCJRMZNOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-12-7-6-10-14-13(25-16(10)15(12)23)8-11-17(19-14)21(20-18(11)24)9-4-2-1-3-5-9/h6-9,19,23H,1-5H2,(H,20,24).
What are the key properties of 14-cyclohexyl-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
14-cyclohexyl-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione has a molecular weight of 339.35 g/mol, XLogP of 3.13, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cyclohexyl-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is sourced from PubChem (CID 71705107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).