4-(3-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-2-(3,4,5-trimethoxyanilino)benzamide

C25H27N3O5 — CID 11855209

IUPAC4-(3-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-2-(3,4,5-trimethoxyanilino)benzamide
SMILESCOc1cc(Nc2cc(-n3cc(C)c4c3CCCC4=O)ccc2C(N)=O)cc(OC)c1OC
InChIInChI=1S/C25H27N3O5/c1-14-13-28(19-6-5-7-20(29)23(14)19)16-8-9-17(25(26)30)18(12-16)27-15-10-21(31-2)24(33-4)22(11-15)32-3/h8-13,27H,5-7H2,1-4H3,(H2,26,30)
InChIKeyMDIJBAINBMQUIN-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.17
Rot. Bonds7

About 4-(3-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-2-(3,4,5-trimethoxyanilino)benzamide

4-(3-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-2-(3,4,5-trimethoxyanilino)benzamide (PubChem CID 11855209) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is 4-(3-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-2-(3,4,5-trimethoxyanilino)benzamide.

Molecular Properties

Compound Name4-(3-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-2-(3,4,5-trimethoxyanilino)benzamide
PubChem CID11855209
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Name4-(3-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-2-(3,4,5-trimethoxyanilino)benzamide
SMILESCOc1cc(Nc2cc(-n3cc(C)c4c3CCCC4=O)ccc2C(N)=O)cc(OC)c1OC
InChIInChI=1S/C25H27N3O5/c1-14-13-28(19-6-5-7-20(29)23(14)19)16-8-9-17(25(26)30)18(12-16)27-15-10-21(31-2)24(33-4)22(11-15)32-3/h8-13,27H,5-7H2,1-4H3,(H2,26,30)
InChIKeyMDIJBAINBMQUIN-UHFFFAOYSA-N
XLogP4.17
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-2-(3,4,5-trimethoxyanilino)benzamide?
The IUPAC name of 4-(3-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-2-(3,4,5-trimethoxyanilino)benzamide (CID 11855209) is 4-(3-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-2-(3,4,5-trimethoxyanilino)benzamide.
What is the SMILES notation for 4-(3-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-2-(3,4,5-trimethoxyanilino)benzamide?
The canonical SMILES for 4-(3-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-2-(3,4,5-trimethoxyanilino)benzamide is COc1cc(Nc2cc(-n3cc(C)c4c3CCCC4=O)ccc2C(N)=O)cc(OC)c1OC.
What is the InChIKey of 4-(3-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-2-(3,4,5-trimethoxyanilino)benzamide?
The InChIKey is MDIJBAINBMQUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-14-13-28(19-6-5-7-20(29)23(14)19)16-8-9-17(25(26)30)18(12-16)27-15-10-21(31-2)24(33-4)22(11-15)32-3/h8-13,27H,5-7H2,1-4H3,(H2,26,30).
What are the key properties of 4-(3-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-2-(3,4,5-trimethoxyanilino)benzamide?
4-(3-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-2-(3,4,5-trimethoxyanilino)benzamide has a molecular weight of 449.51 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-2-(3,4,5-trimethoxyanilino)benzamide is sourced from PubChem (CID 11855209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).