6-methyl-6-(4-methylphenyl)-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione

C23H18N2O3 — CID 100998420

IUPAC6-methyl-6-(4-methylphenyl)-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione
SMILESCc1ccc(C2(C)NC(=O)Nc3c2c(=O)oc2c3ccc3ccccc32)cc1
InChIInChI=1S/C23H18N2O3/c1-13-7-10-15(11-8-13)23(2)18-19(24-22(27)25-23)17-12-9-14-5-3-4-6-16(14)20(17)28-21(18)26/h3-12H,1-2H3,(H2,24,25,27)
InChIKeyFEIVYYXXLWACSA-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.65
Rot. Bonds1

About 6-methyl-6-(4-methylphenyl)-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione

6-methyl-6-(4-methylphenyl)-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione (PubChem CID 100998420) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-methyl-6-(4-methylphenyl)-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione.

Molecular Properties

Compound Name6-methyl-6-(4-methylphenyl)-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione
PubChem CID100998420
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name6-methyl-6-(4-methylphenyl)-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione
SMILESCc1ccc(C2(C)NC(=O)Nc3c2c(=O)oc2c3ccc3ccccc32)cc1
InChIInChI=1S/C23H18N2O3/c1-13-7-10-15(11-8-13)23(2)18-19(24-22(27)25-23)17-12-9-14-5-3-4-6-16(14)20(17)28-21(18)26/h3-12H,1-2H3,(H2,24,25,27)
InChIKeyFEIVYYXXLWACSA-UHFFFAOYSA-N
XLogP4.65
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-methyl-6-(4-methylphenyl)-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-(4-methylphenyl)-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione?
The IUPAC name of 6-methyl-6-(4-methylphenyl)-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione (CID 100998420) is 6-methyl-6-(4-methylphenyl)-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione.
What is the SMILES notation for 6-methyl-6-(4-methylphenyl)-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione?
The canonical SMILES for 6-methyl-6-(4-methylphenyl)-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione is Cc1ccc(C2(C)NC(=O)Nc3c2c(=O)oc2c3ccc3ccccc32)cc1.
What is the InChIKey of 6-methyl-6-(4-methylphenyl)-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione?
The InChIKey is FEIVYYXXLWACSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-13-7-10-15(11-8-13)23(2)18-19(24-22(27)25-23)17-12-9-14-5-3-4-6-16(14)20(17)28-21(18)26/h3-12H,1-2H3,(H2,24,25,27).
What are the key properties of 6-methyl-6-(4-methylphenyl)-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione?
6-methyl-6-(4-methylphenyl)-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione has a molecular weight of 370.41 g/mol, XLogP of 4.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-(4-methylphenyl)-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione is sourced from PubChem (CID 100998420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).