8-(2,4-dimethylanilino)-3-methylbenzo[e]perimidine-2,7-dione

C24H19N3O2 — CID 20752022

IUPAC8-(2,4-dimethylanilino)-3-methylbenzo[e]perimidine-2,7-dione
SMILESCc1ccc(Nc2cccc3c2C(=O)c2cccc4c2c-3nc(=O)n4C)c(C)c1
InChIInChI=1S/C24H19N3O2/c1-13-10-11-17(14(2)12-13)25-18-8-4-6-15-20(18)23(28)16-7-5-9-19-21(16)22(15)26-24(29)27(19)3/h4-12,25H,1-3H3
InChIKeyRAMTWJCYRMUJHY-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.51
Rot. Bonds2

About 8-(2,4-dimethylanilino)-3-methylbenzo[e]perimidine-2,7-dione

8-(2,4-dimethylanilino)-3-methylbenzo[e]perimidine-2,7-dione (PubChem CID 20752022) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 8-(2,4-dimethylanilino)-3-methylbenzo[e]perimidine-2,7-dione.

Molecular Properties

Compound Name8-(2,4-dimethylanilino)-3-methylbenzo[e]perimidine-2,7-dione
PubChem CID20752022
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name8-(2,4-dimethylanilino)-3-methylbenzo[e]perimidine-2,7-dione
SMILESCc1ccc(Nc2cccc3c2C(=O)c2cccc4c2c-3nc(=O)n4C)c(C)c1
InChIInChI=1S/C24H19N3O2/c1-13-10-11-17(14(2)12-13)25-18-8-4-6-15-20(18)23(28)16-7-5-9-19-21(16)22(15)26-24(29)27(19)3/h4-12,25H,1-3H3
InChIKeyRAMTWJCYRMUJHY-UHFFFAOYSA-N
XLogP4.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

5-ME-2-(3-ME-2,7-DIOXO-3H-BENZO(E)PERIMIDIN-6-YLAMINO)-BENZENESULFONIC ACID, NA
CID 126959976
1-amino-4-(2,4-dimethylanilino)anthracene-9,10-dione
CID 12609645
10-(2,3-dimethylanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
CID 58445104
1,5-bis(2,3-dimethylanilino)anthracene-9,10-dione
CID 22756931
6-anilino-15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one
CID 20810791
4-(4-tert-butyl-2-methylphenoxy)-2-(2,4-dimethylanilino)benzo[e]perimidin-7-one
CID 20752025
2-methyl-4-(2-methylanilino)indeno[1,2-b]pyridin-5-one
CID 10334968
16-(3,4-dimethylanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
CID 7573632
4-hydroxy-1,5-bis(4-methylanilino)anthracene-9,10-dione
CID 22756941
4-methyl-12-(4-methylanilino)-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-14-one
CID 13288715
2-[[9,10-dioxo-4-(2-sulfoanilino)anthracen-1-yl]amino]-5-methylbenzenesulfonic acid
CID 121242115
N-ethylmethanesulfonamide;14-methyl-10-(4-methylanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
CID 91354209

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethylanilino)-3-methylbenzo[e]perimidine-2,7-dione?
The IUPAC name of 8-(2,4-dimethylanilino)-3-methylbenzo[e]perimidine-2,7-dione (CID 20752022) is 8-(2,4-dimethylanilino)-3-methylbenzo[e]perimidine-2,7-dione.
What is the SMILES notation for 8-(2,4-dimethylanilino)-3-methylbenzo[e]perimidine-2,7-dione?
The canonical SMILES for 8-(2,4-dimethylanilino)-3-methylbenzo[e]perimidine-2,7-dione is Cc1ccc(Nc2cccc3c2C(=O)c2cccc4c2c-3nc(=O)n4C)c(C)c1.
What is the InChIKey of 8-(2,4-dimethylanilino)-3-methylbenzo[e]perimidine-2,7-dione?
The InChIKey is RAMTWJCYRMUJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-13-10-11-17(14(2)12-13)25-18-8-4-6-15-20(18)23(28)16-7-5-9-19-21(16)22(15)26-24(29)27(19)3/h4-12,25H,1-3H3.
What are the key properties of 8-(2,4-dimethylanilino)-3-methylbenzo[e]perimidine-2,7-dione?
8-(2,4-dimethylanilino)-3-methylbenzo[e]perimidine-2,7-dione has a molecular weight of 381.44 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethylanilino)-3-methylbenzo[e]perimidine-2,7-dione is sourced from PubChem (CID 20752022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).