10,12-dimethyl-4-(4-methylphenyl)-8-phenyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione

C23H18N4O4 — CID 2785469

IUPAC10,12-dimethyl-4-(4-methylphenyl)-8-phenyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione
SMILESCc1ccc(-c2nc3c(=O)n(-c4ccccc4)c4c(c(=O)n(C)c(=O)n4C)c3o2)cc1
InChIInChI=1S/C23H18N4O4/c1-13-9-11-14(12-10-13)19-24-17-18(31-19)16-20(25(2)23(30)26(3)21(16)28)27(22(17)29)15-7-5-4-6-8-15/h4-12H,1-3H3
InChIKeyWEVWFAGPJCIGPG-UHFFFAOYSA-N
MW414.42 g/mol
LogP2.50
Rot. Bonds2

About 10,12-dimethyl-4-(4-methylphenyl)-8-phenyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione

10,12-dimethyl-4-(4-methylphenyl)-8-phenyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione (PubChem CID 2785469) has the molecular formula C23H18N4O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is 10,12-dimethyl-4-(4-methylphenyl)-8-phenyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione.

Molecular Properties

Compound Name10,12-dimethyl-4-(4-methylphenyl)-8-phenyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione
PubChem CID2785469
Molecular FormulaC23H18N4O4
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC Name10,12-dimethyl-4-(4-methylphenyl)-8-phenyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione
SMILESCc1ccc(-c2nc3c(=O)n(-c4ccccc4)c4c(c(=O)n(C)c(=O)n4C)c3o2)cc1
InChIInChI=1S/C23H18N4O4/c1-13-9-11-14(12-10-13)19-24-17-18(31-19)16-20(25(2)23(30)26(3)21(16)28)27(22(17)29)15-7-5-4-6-8-15/h4-12H,1-3H3
InChIKeyWEVWFAGPJCIGPG-UHFFFAOYSA-N
XLogP2.50
TPSA92.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 10,12-dimethyl-4-(4-methylphenyl)-8-phenyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,12-dimethyl-4-(4-methylphenyl)-8-phenyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione?
The IUPAC name of 10,12-dimethyl-4-(4-methylphenyl)-8-phenyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione (CID 2785469) is 10,12-dimethyl-4-(4-methylphenyl)-8-phenyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione.
What is the SMILES notation for 10,12-dimethyl-4-(4-methylphenyl)-8-phenyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione?
The canonical SMILES for 10,12-dimethyl-4-(4-methylphenyl)-8-phenyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione is Cc1ccc(-c2nc3c(=O)n(-c4ccccc4)c4c(c(=O)n(C)c(=O)n4C)c3o2)cc1.
What is the InChIKey of 10,12-dimethyl-4-(4-methylphenyl)-8-phenyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione?
The InChIKey is WEVWFAGPJCIGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4/c1-13-9-11-14(12-10-13)19-24-17-18(31-19)16-20(25(2)23(30)26(3)21(16)28)27(22(17)29)15-7-5-4-6-8-15/h4-12H,1-3H3.
What are the key properties of 10,12-dimethyl-4-(4-methylphenyl)-8-phenyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione?
10,12-dimethyl-4-(4-methylphenyl)-8-phenyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione has a molecular weight of 414.42 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10,12-dimethyl-4-(4-methylphenyl)-8-phenyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione is sourced from PubChem (CID 2785469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).