4,6-dimethyl-9-(4-methylbenzoyl)-2,4,6,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-5,7-dione

C23H20N4O3 — CID 10597111

IUPAC4,6-dimethyl-9-(4-methylbenzoyl)-2,4,6,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-5,7-dione
SMILESCc1ccc(C(=O)C2c3c(n(C)c(=O)n(C)c3=O)Nc3[nH]c4ccccc4c32)cc1
InChIInChI=1S/C23H20N4O3/c1-12-8-10-13(11-9-12)19(28)17-16-14-6-4-5-7-15(14)24-20(16)25-21-18(17)22(29)27(3)23(30)26(21)2/h4-11,17,24-25H,1-3H3
InChIKeyINRWUNXVGILTQK-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.95
Rot. Bonds2

About 4,6-dimethyl-9-(4-methylbenzoyl)-2,4,6,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-5,7-dione

4,6-dimethyl-9-(4-methylbenzoyl)-2,4,6,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-5,7-dione (PubChem CID 10597111) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4,6-dimethyl-9-(4-methylbenzoyl)-2,4,6,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-5,7-dione.

Molecular Properties

Compound Name4,6-dimethyl-9-(4-methylbenzoyl)-2,4,6,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-5,7-dione
PubChem CID10597111
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name4,6-dimethyl-9-(4-methylbenzoyl)-2,4,6,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-5,7-dione
SMILESCc1ccc(C(=O)C2c3c(n(C)c(=O)n(C)c3=O)Nc3[nH]c4ccccc4c32)cc1
InChIInChI=1S/C23H20N4O3/c1-12-8-10-13(11-9-12)19(28)17-16-14-6-4-5-7-15(14)24-20(16)25-21-18(17)22(29)27(3)23(30)26(21)2/h4-11,17,24-25H,1-3H3
InChIKeyINRWUNXVGILTQK-UHFFFAOYSA-N
XLogP2.95
TPSA88.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4,6-dimethyl-9-(4-methylbenzoyl)-2,4,6,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-5,7-dione with MolForge

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Related Compounds

(9S)-9-benzoyl-4,6-dimethyl-2,4,6,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-5,7-dione
CID 92981687
ethyl 1,3-dimethyl-5-(4-methylphenyl)-2,4-dioxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 23941344
1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-N-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
CID 17354945
(5R)-1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-N-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
CID 40771924
1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 67949085
ethyl 1,3-dimethyl-2,4,7-trioxo-6-(triphenyl-λ5-phosphanylidene)-5,8-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
CID 71769627
methyl (5S)-1,3,7-trimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 7160979
1,3,6-trimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione
CID 624931
(5R)-1,3,7-trimethyl-2,4-dioxo-N,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
CID 40771922
6-ethyl-1,3-dimethyl-5-(3-methyl-1H-indol-2-yl)pyrimidine-2,4-dione
CID 626776
1,3-dimethyl-6-(4-methylphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 50751409
N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-methylbenzamide
CID 4517889

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-9-(4-methylbenzoyl)-2,4,6,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-5,7-dione?
The IUPAC name of 4,6-dimethyl-9-(4-methylbenzoyl)-2,4,6,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-5,7-dione (CID 10597111) is 4,6-dimethyl-9-(4-methylbenzoyl)-2,4,6,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-5,7-dione.
What is the SMILES notation for 4,6-dimethyl-9-(4-methylbenzoyl)-2,4,6,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-5,7-dione?
The canonical SMILES for 4,6-dimethyl-9-(4-methylbenzoyl)-2,4,6,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-5,7-dione is Cc1ccc(C(=O)C2c3c(n(C)c(=O)n(C)c3=O)Nc3[nH]c4ccccc4c32)cc1.
What is the InChIKey of 4,6-dimethyl-9-(4-methylbenzoyl)-2,4,6,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-5,7-dione?
The InChIKey is INRWUNXVGILTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-12-8-10-13(11-9-12)19(28)17-16-14-6-4-5-7-15(14)24-20(16)25-21-18(17)22(29)27(3)23(30)26(21)2/h4-11,17,24-25H,1-3H3.
What are the key properties of 4,6-dimethyl-9-(4-methylbenzoyl)-2,4,6,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-5,7-dione?
4,6-dimethyl-9-(4-methylbenzoyl)-2,4,6,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-5,7-dione has a molecular weight of 400.44 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-9-(4-methylbenzoyl)-2,4,6,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-5,7-dione is sourced from PubChem (CID 10597111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).