14-(1,3-benzodioxol-5-yl)-11-(3,4-dimethoxybenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione

C30H24N2O7 — CID 3324810

IUPAC14-(1,3-benzodioxol-5-yl)-11-(3,4-dimethoxybenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
SMILESCOc1ccc(C(=O)C2C3C(=O)N(c4ccc5c(c4)OCO5)C(=O)C3C3c4ccccc4C=CN23)cc1OC
InChIInChI=1S/C30H24N2O7/c1-36-20-9-7-17(13-22(20)37-2)28(33)27-25-24(26-19-6-4-3-5-16(19)11-12-31(26)27)29(34)32(30(25)35)18-8-10-21-23(14-18)39-15-38-21/h3-14,24-27H,15H2,1-2H3
InChIKeyPLLFGMUIEJUCAR-UHFFFAOYSA-N
MW524.53 g/mol
LogP3.83
Rot. Bonds5

About 14-(1,3-benzodioxol-5-yl)-11-(3,4-dimethoxybenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione

14-(1,3-benzodioxol-5-yl)-11-(3,4-dimethoxybenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione (PubChem CID 3324810) has the molecular formula C30H24N2O7 and a molecular weight of 524.53 g/mol. Its IUPAC name is 14-(1,3-benzodioxol-5-yl)-11-(3,4-dimethoxybenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione.

Molecular Properties

Compound Name14-(1,3-benzodioxol-5-yl)-11-(3,4-dimethoxybenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
PubChem CID3324810
Molecular FormulaC30H24N2O7
Molecular Weight524.53 g/mol
Exact Mass524.16
IUPAC Name14-(1,3-benzodioxol-5-yl)-11-(3,4-dimethoxybenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
SMILESCOc1ccc(C(=O)C2C3C(=O)N(c4ccc5c(c4)OCO5)C(=O)C3C3c4ccccc4C=CN23)cc1OC
InChIInChI=1S/C30H24N2O7/c1-36-20-9-7-17(13-22(20)37-2)28(33)27-25-24(26-19-6-4-3-5-16(19)11-12-31(26)27)29(34)32(30(25)35)18-8-10-21-23(14-18)39-15-38-21/h3-14,24-27H,15H2,1-2H3
InChIKeyPLLFGMUIEJUCAR-UHFFFAOYSA-N
XLogP3.83
TPSA94.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.53
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 14-(1,3-benzodioxol-5-yl)-11-(3,4-dimethoxybenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-(1,3-benzodioxol-5-yl)-11-(3,4-dimethoxybenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
The IUPAC name of 14-(1,3-benzodioxol-5-yl)-11-(3,4-dimethoxybenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione (CID 3324810) is 14-(1,3-benzodioxol-5-yl)-11-(3,4-dimethoxybenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione.
What is the SMILES notation for 14-(1,3-benzodioxol-5-yl)-11-(3,4-dimethoxybenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
The canonical SMILES for 14-(1,3-benzodioxol-5-yl)-11-(3,4-dimethoxybenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione is COc1ccc(C(=O)C2C3C(=O)N(c4ccc5c(c4)OCO5)C(=O)C3C3c4ccccc4C=CN23)cc1OC.
What is the InChIKey of 14-(1,3-benzodioxol-5-yl)-11-(3,4-dimethoxybenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
The InChIKey is PLLFGMUIEJUCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O7/c1-36-20-9-7-17(13-22(20)37-2)28(33)27-25-24(26-19-6-4-3-5-16(19)11-12-31(26)27)29(34)32(30(25)35)18-8-10-21-23(14-18)39-15-38-21/h3-14,24-27H,15H2,1-2H3.
What are the key properties of 14-(1,3-benzodioxol-5-yl)-11-(3,4-dimethoxybenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
14-(1,3-benzodioxol-5-yl)-11-(3,4-dimethoxybenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione has a molecular weight of 524.53 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(1,3-benzodioxol-5-yl)-11-(3,4-dimethoxybenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione is sourced from PubChem (CID 3324810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).