6,7-dimethyl-9-(3,4,5-trimethoxyanilino)-3,4-dihydro-2H-acridin-1-one

C24H26N2O4 — CID 118248240

IUPAC6,7-dimethyl-9-(3,4,5-trimethoxyanilino)-3,4-dihydro-2H-acridin-1-one
SMILESCOc1cc(Nc2c3c(nc4cc(C)c(C)cc24)CCCC3=O)cc(OC)c1OC
InChIInChI=1S/C24H26N2O4/c1-13-9-16-18(10-14(13)2)26-17-7-6-8-19(27)22(17)23(16)25-15-11-20(28-3)24(30-5)21(12-15)29-4/h9-12H,6-8H2,1-5H3,(H,25,26)
InChIKeyXPDGBTOOLAXLJW-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.14
Rot. Bonds5

About 6,7-dimethyl-9-(3,4,5-trimethoxyanilino)-3,4-dihydro-2H-acridin-1-one

6,7-dimethyl-9-(3,4,5-trimethoxyanilino)-3,4-dihydro-2H-acridin-1-one (PubChem CID 118248240) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 6,7-dimethyl-9-(3,4,5-trimethoxyanilino)-3,4-dihydro-2H-acridin-1-one.

Molecular Properties

Compound Name6,7-dimethyl-9-(3,4,5-trimethoxyanilino)-3,4-dihydro-2H-acridin-1-one
PubChem CID118248240
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name6,7-dimethyl-9-(3,4,5-trimethoxyanilino)-3,4-dihydro-2H-acridin-1-one
SMILESCOc1cc(Nc2c3c(nc4cc(C)c(C)cc24)CCCC3=O)cc(OC)c1OC
InChIInChI=1S/C24H26N2O4/c1-13-9-16-18(10-14(13)2)26-17-7-6-8-19(27)22(17)23(16)25-15-11-20(28-3)24(30-5)21(12-15)29-4/h9-12H,6-8H2,1-5H3,(H,25,26)
InChIKeyXPDGBTOOLAXLJW-UHFFFAOYSA-N
XLogP5.14
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-9-(3,4,5-trimethoxyanilino)-3,4-dihydro-2H-acridin-1-one?
The IUPAC name of 6,7-dimethyl-9-(3,4,5-trimethoxyanilino)-3,4-dihydro-2H-acridin-1-one (CID 118248240) is 6,7-dimethyl-9-(3,4,5-trimethoxyanilino)-3,4-dihydro-2H-acridin-1-one.
What is the SMILES notation for 6,7-dimethyl-9-(3,4,5-trimethoxyanilino)-3,4-dihydro-2H-acridin-1-one?
The canonical SMILES for 6,7-dimethyl-9-(3,4,5-trimethoxyanilino)-3,4-dihydro-2H-acridin-1-one is COc1cc(Nc2c3c(nc4cc(C)c(C)cc24)CCCC3=O)cc(OC)c1OC.
What is the InChIKey of 6,7-dimethyl-9-(3,4,5-trimethoxyanilino)-3,4-dihydro-2H-acridin-1-one?
The InChIKey is XPDGBTOOLAXLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-13-9-16-18(10-14(13)2)26-17-7-6-8-19(27)22(17)23(16)25-15-11-20(28-3)24(30-5)21(12-15)29-4/h9-12H,6-8H2,1-5H3,(H,25,26).
What are the key properties of 6,7-dimethyl-9-(3,4,5-trimethoxyanilino)-3,4-dihydro-2H-acridin-1-one?
6,7-dimethyl-9-(3,4,5-trimethoxyanilino)-3,4-dihydro-2H-acridin-1-one has a molecular weight of 406.48 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-9-(3,4,5-trimethoxyanilino)-3,4-dihydro-2H-acridin-1-one is sourced from PubChem (CID 118248240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).