6-anilino-2,4-dimethylbenzo[e]perimidin-7-one;ethane

C25H23N3O — CID 91513884

IUPAC6-anilino-2,4-dimethylbenzo[e]perimidin-7-one;ethane
SMILESCC.Cc1nc2c3c(c(Nc4ccccc4)cc(C)c3n1)C(=O)c1ccccc1-2
InChIInChI=1S/C23H17N3O.C2H6/c1-13-12-18(26-15-8-4-3-5-9-15)19-20-21(13)24-14(2)25-22(20)16-10-6-7-11-17(16)23(19)27;1-2/h3-12,26H,1-2H3;1-2H3
InChIKeyFHJXUSNRQAMWOY-UHFFFAOYSA-N
MW381.48 g/mol
LogP6.23
Rot. Bonds2

About 6-anilino-2,4-dimethylbenzo[e]perimidin-7-one;ethane

6-anilino-2,4-dimethylbenzo[e]perimidin-7-one;ethane (PubChem CID 91513884) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is 6-anilino-2,4-dimethylbenzo[e]perimidin-7-one;ethane.

Molecular Properties

Compound Name6-anilino-2,4-dimethylbenzo[e]perimidin-7-one;ethane
PubChem CID91513884
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name6-anilino-2,4-dimethylbenzo[e]perimidin-7-one;ethane
SMILESCC.Cc1nc2c3c(c(Nc4ccccc4)cc(C)c3n1)C(=O)c1ccccc1-2
InChIInChI=1S/C23H17N3O.C2H6/c1-13-12-18(26-15-8-4-3-5-9-15)19-20-21(13)24-14(2)25-22(20)16-10-6-7-11-17(16)23(19)27;1-2/h3-12,26H,1-2H3;1-2H3
InChIKeyFHJXUSNRQAMWOY-UHFFFAOYSA-N
XLogP6.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-anilino-2-(4-tert-butylphenyl)-4-methoxybenzo[e]perimidin-7-one
CID 163498463
6-anilino-2-(2-hydroxy-4-methoxyphenyl)-4-phenoxybenzo[e]perimidin-7-one;ethane
CID 136660174
2-methyl-4-(2-methylanilino)indeno[1,2-b]pyridin-5-one
CID 10334968
N-[4,5-dimethoxy-2-[6-(4-methoxyanilino)-7-oxo-4-phenoxybenzo[e]perimidin-2-yl]phenyl]methanesulfonamide;ethane
CID 91250599
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
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
4,6-bis(methylamino)benzo[e]perimidin-7-one
CID 4130143
1-amino-4-anilino-2-methylsulfonylanthracene-9,10-dione
CID 58420795
anthracene-9,10-dione;bis(N-phenylaniline)
CID 174974438
N-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide
CID 5166275
sodium 1-amino-4-anilino-9,10-dioxoanthracene-2-thiolate
CID 102057908
6-(4-tert-butylphenoxy)-2-(2-hydroxyphenyl)-4-methylbenzo[e]perimidin-7-one;ethane
CID 136617365

Frequently Asked Questions

What is the IUPAC name of 6-anilino-2,4-dimethylbenzo[e]perimidin-7-one;ethane?
The IUPAC name of 6-anilino-2,4-dimethylbenzo[e]perimidin-7-one;ethane (CID 91513884) is 6-anilino-2,4-dimethylbenzo[e]perimidin-7-one;ethane.
What is the SMILES notation for 6-anilino-2,4-dimethylbenzo[e]perimidin-7-one;ethane?
The canonical SMILES for 6-anilino-2,4-dimethylbenzo[e]perimidin-7-one;ethane is CC.Cc1nc2c3c(c(Nc4ccccc4)cc(C)c3n1)C(=O)c1ccccc1-2.
What is the InChIKey of 6-anilino-2,4-dimethylbenzo[e]perimidin-7-one;ethane?
The InChIKey is FHJXUSNRQAMWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O.C2H6/c1-13-12-18(26-15-8-4-3-5-9-15)19-20-21(13)24-14(2)25-22(20)16-10-6-7-11-17(16)23(19)27;1-2/h3-12,26H,1-2H3;1-2H3.
What are the key properties of 6-anilino-2,4-dimethylbenzo[e]perimidin-7-one;ethane?
6-anilino-2,4-dimethylbenzo[e]perimidin-7-one;ethane has a molecular weight of 381.48 g/mol, XLogP of 6.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-2,4-dimethylbenzo[e]perimidin-7-one;ethane is sourced from PubChem (CID 91513884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).