6-hydroxy-10,14-di(propan-2-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

C18H19N3O4 — CID 71754741

IUPAC6-hydroxy-10,14-di(propan-2-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESCC(C)c1c2oc3c(O)c(=O)ccc3c2[nH]c2c1c(=O)[nH]n2C(C)C
InChIInChI=1S/C18H19N3O4/c1-7(2)11-12-17(21(8(3)4)20-18(12)24)19-13-9-5-6-10(22)14(23)15(9)25-16(11)13/h5-8,19,23H,1-4H3,(H,20,24)
InChIKeyKEVJNCNTUGWTAB-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.33
Rot. Bonds2

About 6-hydroxy-10,14-di(propan-2-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

6-hydroxy-10,14-di(propan-2-yl)-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 71754741) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-hydroxy-10,14-di(propan-2-yl)-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 Name6-hydroxy-10,14-di(propan-2-yl)-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 CID71754741
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name6-hydroxy-10,14-di(propan-2-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESCC(C)c1c2oc3c(O)c(=O)ccc3c2[nH]c2c1c(=O)[nH]n2C(C)C
InChIInChI=1S/C18H19N3O4/c1-7(2)11-12-17(21(8(3)4)20-18(12)24)19-13-9-5-6-10(22)14(23)15(9)25-16(11)13/h5-8,19,23H,1-4H3,(H,20,24)
InChIKeyKEVJNCNTUGWTAB-UHFFFAOYSA-N
XLogP3.33
TPSA104.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-hydroxy-10,14-di(propan-2-yl)-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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-10,14-di(propan-2-yl)-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 6-hydroxy-10,14-di(propan-2-yl)-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 71754741) is 6-hydroxy-10,14-di(propan-2-yl)-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 6-hydroxy-10,14-di(propan-2-yl)-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 6-hydroxy-10,14-di(propan-2-yl)-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 CC(C)c1c2oc3c(O)c(=O)ccc3c2[nH]c2c1c(=O)[nH]n2C(C)C.
What is the InChIKey of 6-hydroxy-10,14-di(propan-2-yl)-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 KEVJNCNTUGWTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-7(2)11-12-17(21(8(3)4)20-18(12)24)19-13-9-5-6-10(22)14(23)15(9)25-16(11)13/h5-8,19,23H,1-4H3,(H,20,24).
What are the key properties of 6-hydroxy-10,14-di(propan-2-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
6-hydroxy-10,14-di(propan-2-yl)-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 341.37 g/mol, XLogP of 3.33, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-10,14-di(propan-2-yl)-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 71754741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).