14-cyclopentyl-10-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-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

C26H23N3O6 — CID 71704416

IUPAC14-cyclopentyl-10-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-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
SMILESCOc1cc(-c2c3oc4cc(=O)ccc4c3[nH]c3c2c(=O)[nH]n3C2CCCC2)cc2c1OCCO2
InChIInChI=1S/C26H23N3O6/c1-32-18-10-13(11-19-23(18)34-9-8-33-19)20-21-25(29(28-26(21)31)14-4-2-3-5-14)27-22-16-7-6-15(30)12-17(16)35-24(20)22/h6-7,10-12,14,27H,2-5,8-9H2,1H3,(H,28,31)
InChIKeyVVMIMFFWBJRXJC-UHFFFAOYSA-N
MW473.49 g/mol
LogP4.48
Rot. Bonds3

About 14-cyclopentyl-10-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-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

14-cyclopentyl-10-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-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 71704416) has the molecular formula C26H23N3O6 and a molecular weight of 473.49 g/mol. Its IUPAC name is 14-cyclopentyl-10-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-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 Name14-cyclopentyl-10-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-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 CID71704416
Molecular FormulaC26H23N3O6
Molecular Weight473.49 g/mol
Exact Mass473.16
IUPAC Name14-cyclopentyl-10-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-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
SMILESCOc1cc(-c2c3oc4cc(=O)ccc4c3[nH]c3c2c(=O)[nH]n3C2CCCC2)cc2c1OCCO2
InChIInChI=1S/C26H23N3O6/c1-32-18-10-13(11-19-23(18)34-9-8-33-19)20-21-25(29(28-26(21)31)14-4-2-3-5-14)27-22-16-7-6-15(30)12-17(16)35-24(20)22/h6-7,10-12,14,27H,2-5,8-9H2,1H3,(H,28,31)
InChIKeyVVMIMFFWBJRXJC-UHFFFAOYSA-N
XLogP4.48
TPSA111.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 14-cyclopentyl-10-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-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 14-cyclopentyl-10-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-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 14-cyclopentyl-10-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-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 71704416) is 14-cyclopentyl-10-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-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 14-cyclopentyl-10-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-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 14-cyclopentyl-10-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-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 COc1cc(-c2c3oc4cc(=O)ccc4c3[nH]c3c2c(=O)[nH]n3C2CCCC2)cc2c1OCCO2.
What is the InChIKey of 14-cyclopentyl-10-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-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 VVMIMFFWBJRXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O6/c1-32-18-10-13(11-19-23(18)34-9-8-33-19)20-21-25(29(28-26(21)31)14-4-2-3-5-14)27-22-16-7-6-15(30)12-17(16)35-24(20)22/h6-7,10-12,14,27H,2-5,8-9H2,1H3,(H,28,31).
What are the key properties of 14-cyclopentyl-10-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-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?
14-cyclopentyl-10-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-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 473.49 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cyclopentyl-10-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-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 71704416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).