5,6-dimethyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]indole-2-carboxylic acid

C26H21N3O4 — CID 143773984

About 5,6-dimethyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]indole-2-carboxylic acid

5,6-dimethyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]indole-2-carboxylic acid (PubChem CID 143773984) has the molecular formula C26H21N3O4 and a molecular weight of 439.47 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]indole-2-carboxylic acid.

Molecular Properties

• Compound Name: 5,6-dimethyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]indole-2-carboxylic acid
• PubChem CID: 143773984
• Molecular Formula: C26H21N3O4
• Molecular Weight: 439.47 g/mol
• Exact Mass: 439.15
• IUPAC Name: 5,6-dimethyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]indole-2-carboxylic acid
• SMILES: Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc(=O)[nH]c4ccccc34)c2cc1C
• InChI: InChI=1S/C26H21N3O4/c1-14-10-19-21(11-15(14)2)29(13-16-12-22(30)28-20-8-4-3-6-17(16)20)24(26(32)33)23(19)18-7-5-9-27-25(18)31/h3-12H,13H2,1-2H3,(H,27,31)(H,28,30)(H,32,33)
• InChIKey: FTWKBANUUQGFKI-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 107.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.47
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]indole-2-carboxylic acid?

The IUPAC name of 5,6-dimethyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]indole-2-carboxylic acid (CID 143773984) is 5,6-dimethyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]indole-2-carboxylic acid.

What is the SMILES notation for 5,6-dimethyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]indole-2-carboxylic acid?

The canonical SMILES for 5,6-dimethyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]indole-2-carboxylic acid is Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc(=O)[nH]c4ccccc34)c2cc1C.

What is the InChIKey of 5,6-dimethyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]indole-2-carboxylic acid?

The InChIKey is FTWKBANUUQGFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O4/c1-14-10-19-21(11-15(14)2)29(13-16-12-22(30)28-20-8-4-3-6-17(16)20)24(26(32)33)23(19)18-7-5-9-27-25(18)31/h3-12H,13H2,1-2H3,(H,27,31)(H,28,30)(H,32,33).

What are the key properties of 5,6-dimethyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]indole-2-carboxylic acid?

5,6-dimethyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]indole-2-carboxylic acid has a molecular weight of 439.47 g/mol, XLogP of 4.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-dimethyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]indole-2-carboxylic acid is sourced from PubChem (CID 143773984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).