6-hydroxy-10-(4-propan-2-yloxyphenyl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one

C21H17N3O4 — CID 91637362

IUPAC6-hydroxy-10-(4-propan-2-yloxyphenyl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
SMILESCC(C)Oc1ccc(-c2c3c[nH][nH]c3nc3c2oc2c(O)c(=O)ccc23)cc1
InChIInChI=1S/C21H17N3O4/c1-10(2)27-12-5-3-11(4-6-12)16-14-9-22-24-21(14)23-17-13-7-8-15(25)18(26)19(13)28-20(16)17/h3-10,26H,1-2H3,(H2,22,23,24)
InChIKeyLQWZIJFRFSFQGZ-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.31
Rot. Bonds3

About 6-hydroxy-10-(4-propan-2-yloxyphenyl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one

6-hydroxy-10-(4-propan-2-yloxyphenyl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one (PubChem CID 91637362) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 6-hydroxy-10-(4-propan-2-yloxyphenyl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one.

Molecular Properties

Compound Name6-hydroxy-10-(4-propan-2-yloxyphenyl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
PubChem CID91637362
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name6-hydroxy-10-(4-propan-2-yloxyphenyl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
SMILESCC(C)Oc1ccc(-c2c3c[nH][nH]c3nc3c2oc2c(O)c(=O)ccc23)cc1
InChIInChI=1S/C21H17N3O4/c1-10(2)27-12-5-3-11(4-6-12)16-14-9-22-24-21(14)23-17-13-7-8-15(25)18(26)19(13)28-20(16)17/h3-10,26H,1-2H3,(H2,22,23,24)
InChIKeyLQWZIJFRFSFQGZ-UHFFFAOYSA-N
XLogP4.31
TPSA104.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-hydroxy-10-(4-propan-2-yloxyphenyl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-10-(4-propan-2-yloxyphenyl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
The IUPAC name of 6-hydroxy-10-(4-propan-2-yloxyphenyl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one (CID 91637362) is 6-hydroxy-10-(4-propan-2-yloxyphenyl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one.
What is the SMILES notation for 6-hydroxy-10-(4-propan-2-yloxyphenyl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
The canonical SMILES for 6-hydroxy-10-(4-propan-2-yloxyphenyl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one is CC(C)Oc1ccc(-c2c3c[nH][nH]c3nc3c2oc2c(O)c(=O)ccc23)cc1.
What is the InChIKey of 6-hydroxy-10-(4-propan-2-yloxyphenyl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
The InChIKey is LQWZIJFRFSFQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-10(2)27-12-5-3-11(4-6-12)16-14-9-22-24-21(14)23-17-13-7-8-15(25)18(26)19(13)28-20(16)17/h3-10,26H,1-2H3,(H2,22,23,24).
What are the key properties of 6-hydroxy-10-(4-propan-2-yloxyphenyl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
6-hydroxy-10-(4-propan-2-yloxyphenyl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one has a molecular weight of 375.38 g/mol, XLogP of 4.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-10-(4-propan-2-yloxyphenyl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one is sourced from PubChem (CID 91637362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).