4,6,14-trimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione

C23H18N4O3 — CID 2785878

IUPAC4,6,14-trimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione
SMILESCc1ccc2nc3c(cc2c1)c(=O)n(-c1ccccc1)c1c3c(=O)n(C)c(=O)n1C
InChIInChI=1S/C23H18N4O3/c1-13-9-10-17-14(11-13)12-16-19(24-17)18-20(25(2)23(30)26(3)22(18)29)27(21(16)28)15-7-5-4-6-8-15/h4-12H,1-3H3
InChIKeyRRMWXMICQJDZBJ-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.40
Rot. Bonds1

About 4,6,14-trimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione

4,6,14-trimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione (PubChem CID 2785878) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 4,6,14-trimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione.

Molecular Properties

Compound Name4,6,14-trimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione
PubChem CID2785878
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name4,6,14-trimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione
SMILESCc1ccc2nc3c(cc2c1)c(=O)n(-c1ccccc1)c1c3c(=O)n(C)c(=O)n1C
InChIInChI=1S/C23H18N4O3/c1-13-9-10-17-14(11-13)12-16-19(24-17)18-20(25(2)23(30)26(3)22(18)29)27(21(16)28)15-7-5-4-6-8-15/h4-12H,1-3H3
InChIKeyRRMWXMICQJDZBJ-UHFFFAOYSA-N
XLogP2.40
TPSA78.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4,6,14-trimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-6-phenylindolo[2,3-b]quinoline
CID 132962157
4,6-dimethyl-12,14-diphenyl-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),2,8-triene-5,7,11,13-tetrone
CID 14042826
6-methyl-3-phenyl-1,2,3-benzotriazin-4-one
CID 132525992
1,3-dimethyl-6-(4-methylphenyl)-5-phenylpyrrolo[3,2-d]pyrimidine-2,4-dione
CID 175665080
1,3-dimethyl-6-nitro-8-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 2777930
1,3,8-trimethylpyrimido[4,5-b]quinoline-2,4-dione
CID 2785860
3-amino-3-(5-chloro-1,3-dimethyl-2,4,7-trioxo-8-phenylpyrido[2,3-d]pyrimidin-6-yl)propanoic acid
CID 170872709
6-hydroxy-11,13-dimethyl-5,9-diphenyl-3-oxa-9,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),5-triene-4,8,12,14-tetrone
CID 54705844
1,3-dimethyl-5-morpholin-4-yl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 2786001
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475
3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
CID 8984212
6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 135454264

Frequently Asked Questions

What is the IUPAC name of 4,6,14-trimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione?
The IUPAC name of 4,6,14-trimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione (CID 2785878) is 4,6,14-trimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione.
What is the SMILES notation for 4,6,14-trimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione?
The canonical SMILES for 4,6,14-trimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione is Cc1ccc2nc3c(cc2c1)c(=O)n(-c1ccccc1)c1c3c(=O)n(C)c(=O)n1C.
What is the InChIKey of 4,6,14-trimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione?
The InChIKey is RRMWXMICQJDZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-13-9-10-17-14(11-13)12-16-19(24-17)18-20(25(2)23(30)26(3)22(18)29)27(21(16)28)15-7-5-4-6-8-15/h4-12H,1-3H3.
What are the key properties of 4,6,14-trimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione?
4,6,14-trimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione has a molecular weight of 398.42 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,14-trimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione is sourced from PubChem (CID 2785878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).