3-methoxy-4-[[1-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]indol-3-yl]methyl]benzoic acid

C24H26N2O4 — CID 15006964

IUPAC3-methoxy-4-[[1-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]indol-3-yl]methyl]benzoic acid
SMILESCOc1cc(C(=O)O)ccc1Cc1cn(C)c2ccc(CC3CCN(C)C3=O)cc12
InChIInChI=1S/C24H26N2O4/c1-25-9-8-17(23(25)27)10-15-4-7-21-20(11-15)19(14-26(21)2)12-16-5-6-18(24(28)29)13-22(16)30-3/h4-7,11,13-14,17H,8-10,12H2,1-3H3,(H,28,29)
InChIKeySUSSFVPODWMQSV-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.50
Rot. Bonds6

About 3-methoxy-4-[[1-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]indol-3-yl]methyl]benzoic acid

3-methoxy-4-[[1-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]indol-3-yl]methyl]benzoic acid (PubChem CID 15006964) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-methoxy-4-[[1-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]indol-3-yl]methyl]benzoic acid.

Molecular Properties

Compound Name3-methoxy-4-[[1-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]indol-3-yl]methyl]benzoic acid
PubChem CID15006964
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name3-methoxy-4-[[1-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]indol-3-yl]methyl]benzoic acid
SMILESCOc1cc(C(=O)O)ccc1Cc1cn(C)c2ccc(CC3CCN(C)C3=O)cc12
InChIInChI=1S/C24H26N2O4/c1-25-9-8-17(23(25)27)10-15-4-7-21-20(11-15)19(14-26(21)2)12-16-5-6-18(24(28)29)13-22(16)30-3/h4-7,11,13-14,17H,8-10,12H2,1-3H3,(H,28,29)
InChIKeySUSSFVPODWMQSV-UHFFFAOYSA-N
XLogP3.50
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-4-[[1-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]indol-3-yl]methyl]benzoic acid with MolForge

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Related Compounds

sodium;4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid;hydride
CID 173223115
3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindole-5-carboxylic acid
CID 15104475
methyl 3-[(4-carbonochloridoyl-2-methoxyphenyl)methyl]-1-methylindole-5-carboxylate
CID 19011120
3-methoxy-4-[[1-methyl-5-(2-methylpentylcarbamoyl)indol-3-yl]methyl]benzoic acid
CID 10002359
methyl 3-methoxy-4-[[1-methyl-5-[2-(morpholine-4-carbonylamino)ethyl]indol-3-yl]methyl]benzoate
CID 19995010
methyl 4-[[5-[hydroxy-(1-methyl-2-oxopyrrolidin-3-yl)methyl]-1-propylindol-3-yl]methyl]-3-methoxybenzoate
CID 57102493
3-methoxy-4-[[5-[(2S)-2-methyl-3-oxo-3-(propylamino)propyl]-1-propylindol-3-yl]methyl]benzoic acid
CID 67835013
methyl 3-methoxy-4-[[5-[3-[[3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1-methylindol-5-yl]carbamoyloxy]propoxycarbonylamino]-1-methylindol-3-yl]methyl]benzoate
CID 59065563
3-[(6-carboxy-2-methoxy-3-methylphenyl)methyl]-1-methylindole-5-carboxylic acid
CID 151907060
methyl 3-methoxy-4-[[1-methyl-5-(pentoxycarbonylamino)indol-3-yl]methyl]benzoate
CID 135051975
3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methyl-N-(4-propylpiperidin-1-yl)indole-5-carboxamide
CID 14948500
3-methoxy-4-[[5-[1-(2-oxopiperidin-3-yl)ethyl]-1-propylindol-3-yl]methyl]benzoic acid
CID 67869249

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[1-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]indol-3-yl]methyl]benzoic acid?
The IUPAC name of 3-methoxy-4-[[1-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]indol-3-yl]methyl]benzoic acid (CID 15006964) is 3-methoxy-4-[[1-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]indol-3-yl]methyl]benzoic acid.
What is the SMILES notation for 3-methoxy-4-[[1-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]indol-3-yl]methyl]benzoic acid?
The canonical SMILES for 3-methoxy-4-[[1-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]indol-3-yl]methyl]benzoic acid is COc1cc(C(=O)O)ccc1Cc1cn(C)c2ccc(CC3CCN(C)C3=O)cc12.
What is the InChIKey of 3-methoxy-4-[[1-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]indol-3-yl]methyl]benzoic acid?
The InChIKey is SUSSFVPODWMQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-25-9-8-17(23(25)27)10-15-4-7-21-20(11-15)19(14-26(21)2)12-16-5-6-18(24(28)29)13-22(16)30-3/h4-7,11,13-14,17H,8-10,12H2,1-3H3,(H,28,29).
What are the key properties of 3-methoxy-4-[[1-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]indol-3-yl]methyl]benzoic acid?
3-methoxy-4-[[1-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]indol-3-yl]methyl]benzoic acid has a molecular weight of 406.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[1-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]indol-3-yl]methyl]benzoic acid is sourced from PubChem (CID 15006964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).