6-(3-methoxyphenyl)-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid

C23H24N2O4 — CID 175358460

IUPAC6-(3-methoxyphenyl)-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid
SMILESCOc1cccc(-c2ccc3c(c2)NC(=O)C3)c1.Cc1[nH]c(C)c(C(=O)O)c1C
InChIInChI=1S/C15H13NO2.C8H11NO2/c1-18-13-4-2-3-10(7-13)11-5-6-12-9-15(17)16-14(12)8-11;1-4-5(2)9-6(3)7(4)8(10)11/h2-8H,9H2,1H3,(H,16,17);9H,1-3H3,(H,10,11)
InChIKeyUFWBMQWXPOSITI-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.49
Rot. Bonds3

About 6-(3-methoxyphenyl)-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid

6-(3-methoxyphenyl)-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid (PubChem CID 175358460) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid
PubChem CID175358460
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name6-(3-methoxyphenyl)-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid
SMILESCOc1cccc(-c2ccc3c(c2)NC(=O)C3)c1.Cc1[nH]c(C)c(C(=O)O)c1C
InChIInChI=1S/C15H13NO2.C8H11NO2/c1-18-13-4-2-3-10(7-13)11-5-6-12-9-15(17)16-14(12)8-11;1-4-5(2)9-6(3)7(4)8(10)11/h2-8H,9H2,1H3,(H,16,17);9H,1-3H3,(H,10,11)
InChIKeyUFWBMQWXPOSITI-UHFFFAOYSA-N
XLogP4.49
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-(3-methoxyphenyl)-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid with MolForge

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Related Compounds

5-phenyl-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid
CID 175141162
6-(3,5-dimethoxyphenyl)-1,3-dihydroindol-2-one
CID 146673871
2,4-dimethyl-6-(2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxylic acid
CID 162638361
[3-(2-oxo-1,3-dihydroindol-6-yl)phenyl] (2R)-3-(dihydroxymethyl)-2,4-diphenylcyclobutane-1-carboxylate
CID 170389022
6-(3-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 163249682
6-(2,3-dimethoxyphenyl)-1,3-dihydroindol-2-one
CID 90833964
6-(4-hydroxyphenyl)-1,3-dihydroindol-2-one
CID 68878128
5-cyano-4-(3-methoxyphenyl)-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylic acid
CID 121333439
3-[5-[[6-(3-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid
CID 54475551
2,4-dimethyl-5-[(2-oxo-5-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid
CID 68789954
6-phenoxy-1,3-dihydroindol-2-one
CID 70875374
3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 22554992

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 6-(3-methoxyphenyl)-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid (CID 175358460) is 6-(3-methoxyphenyl)-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 6-(3-methoxyphenyl)-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 6-(3-methoxyphenyl)-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid is COc1cccc(-c2ccc3c(c2)NC(=O)C3)c1.Cc1[nH]c(C)c(C(=O)O)c1C.
What is the InChIKey of 6-(3-methoxyphenyl)-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is UFWBMQWXPOSITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2.C8H11NO2/c1-18-13-4-2-3-10(7-13)11-5-6-12-9-15(17)16-14(12)8-11;1-4-5(2)9-6(3)7(4)8(10)11/h2-8H,9H2,1H3,(H,16,17);9H,1-3H3,(H,10,11).
What are the key properties of 6-(3-methoxyphenyl)-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid?
6-(3-methoxyphenyl)-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 392.46 g/mol, XLogP of 4.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 175358460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).