6,12-dimethyl-2-(4-methylphenyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3,8-triene-5,7,11,13-tetrone

C18H15N5O4 — CID 15011134

IUPAC6,12-dimethyl-2-(4-methylphenyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3,8-triene-5,7,11,13-tetrone
SMILESCc1ccc(-n2c3nc(=O)n(C)c(=O)c-3cc3c(=O)n(C)c(=O)[nH]c32)cc1
InChIInChI=1S/C18H15N5O4/c1-9-4-6-10(7-5-9)23-13-11(15(24)21(2)17(26)19-13)8-12-14(23)20-18(27)22(3)16(12)25/h4-8H,1-3H3,(H,19,26)
InChIKeyKWKSTLZNUXNODP-UHFFFAOYSA-N
MW365.35 g/mol
LogP-0.12
Rot. Bonds1

About 6,12-dimethyl-2-(4-methylphenyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3,8-triene-5,7,11,13-tetrone

6,12-dimethyl-2-(4-methylphenyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3,8-triene-5,7,11,13-tetrone (PubChem CID 15011134) has the molecular formula C18H15N5O4 and a molecular weight of 365.35 g/mol. Its IUPAC name is 6,12-dimethyl-2-(4-methylphenyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3,8-triene-5,7,11,13-tetrone.

Molecular Properties

Compound Name6,12-dimethyl-2-(4-methylphenyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3,8-triene-5,7,11,13-tetrone
PubChem CID15011134
Molecular FormulaC18H15N5O4
Molecular Weight365.35 g/mol
Exact Mass365.11
IUPAC Name6,12-dimethyl-2-(4-methylphenyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3,8-triene-5,7,11,13-tetrone
SMILESCc1ccc(-n2c3nc(=O)n(C)c(=O)c-3cc3c(=O)n(C)c(=O)[nH]c32)cc1
InChIInChI=1S/C18H15N5O4/c1-9-4-6-10(7-5-9)23-13-11(15(24)21(2)17(26)19-13)8-12-14(23)20-18(27)22(3)16(12)25/h4-8H,1-3H3,(H,19,26)
InChIKeyKWKSTLZNUXNODP-UHFFFAOYSA-N
XLogP-0.12
TPSA111.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6,12-dimethyl-2-(4-methylphenyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3,8-triene-5,7,11,13-tetrone with MolForge

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Related Compounds

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CID 140966690
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Frequently Asked Questions

What is the IUPAC name of 6,12-dimethyl-2-(4-methylphenyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3,8-triene-5,7,11,13-tetrone?
The IUPAC name of 6,12-dimethyl-2-(4-methylphenyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3,8-triene-5,7,11,13-tetrone (CID 15011134) is 6,12-dimethyl-2-(4-methylphenyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3,8-triene-5,7,11,13-tetrone.
What is the SMILES notation for 6,12-dimethyl-2-(4-methylphenyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3,8-triene-5,7,11,13-tetrone?
The canonical SMILES for 6,12-dimethyl-2-(4-methylphenyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3,8-triene-5,7,11,13-tetrone is Cc1ccc(-n2c3nc(=O)n(C)c(=O)c-3cc3c(=O)n(C)c(=O)[nH]c32)cc1.
What is the InChIKey of 6,12-dimethyl-2-(4-methylphenyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3,8-triene-5,7,11,13-tetrone?
The InChIKey is KWKSTLZNUXNODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O4/c1-9-4-6-10(7-5-9)23-13-11(15(24)21(2)17(26)19-13)8-12-14(23)20-18(27)22(3)16(12)25/h4-8H,1-3H3,(H,19,26).
What are the key properties of 6,12-dimethyl-2-(4-methylphenyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3,8-triene-5,7,11,13-tetrone?
6,12-dimethyl-2-(4-methylphenyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3,8-triene-5,7,11,13-tetrone has a molecular weight of 365.35 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-dimethyl-2-(4-methylphenyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3,8-triene-5,7,11,13-tetrone is sourced from PubChem (CID 15011134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).