1-(4,6-dimethyl-1H-indole-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid

C20H18N2O3 — CID 126814432

IUPAC1-(4,6-dimethyl-1H-indole-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cc(C)c2cc(C(=O)N3CC(C(=O)O)c4ccccc43)[nH]c2c1
InChIInChI=1S/C20H18N2O3/c1-11-7-12(2)14-9-17(21-16(14)8-11)19(23)22-10-15(20(24)25)13-5-3-4-6-18(13)22/h3-9,15,21H,10H2,1-2H3,(H,24,25)
InChIKeyBINYAGHSTCGEMK-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.61
Rot. Bonds2

About 1-(4,6-dimethyl-1H-indole-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid

1-(4,6-dimethyl-1H-indole-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 126814432) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-(4,6-dimethyl-1H-indole-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4,6-dimethyl-1H-indole-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID126814432
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name1-(4,6-dimethyl-1H-indole-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cc(C)c2cc(C(=O)N3CC(C(=O)O)c4ccccc43)[nH]c2c1
InChIInChI=1S/C20H18N2O3/c1-11-7-12(2)14-9-17(21-16(14)8-11)19(23)22-10-15(20(24)25)13-5-3-4-6-18(13)22/h3-9,15,21H,10H2,1-2H3,(H,24,25)
InChIKeyBINYAGHSTCGEMK-UHFFFAOYSA-N
XLogP3.61
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-1H-indole-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(4,6-dimethyl-1H-indole-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 126814432) is 1-(4,6-dimethyl-1H-indole-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(4,6-dimethyl-1H-indole-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(4,6-dimethyl-1H-indole-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid is Cc1cc(C)c2cc(C(=O)N3CC(C(=O)O)c4ccccc43)[nH]c2c1.
What is the InChIKey of 1-(4,6-dimethyl-1H-indole-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is BINYAGHSTCGEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-11-7-12(2)14-9-17(21-16(14)8-11)19(23)22-10-15(20(24)25)13-5-3-4-6-18(13)22/h3-9,15,21H,10H2,1-2H3,(H,24,25).
What are the key properties of 1-(4,6-dimethyl-1H-indole-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(4,6-dimethyl-1H-indole-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 334.38 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-1H-indole-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 126814432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).