butanoic acid;N-(2-hydroxyethyl)-4-oxo-N-propan-2-yl-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide

C20H27N3O6S — CID 68934630

About butanoic acid;N-(2-hydroxyethyl)-4-oxo-N-propan-2-yl-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide

butanoic acid;N-(2-hydroxyethyl)-4-oxo-N-propan-2-yl-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide (PubChem CID 68934630) has the molecular formula C20H27N3O6S and a molecular weight of 437.52 g/mol. Its IUPAC name is butanoic acid;N-(2-hydroxyethyl)-4-oxo-N-propan-2-yl-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide.

Molecular Properties

• Compound Name: butanoic acid;N-(2-hydroxyethyl)-4-oxo-N-propan-2-yl-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
• PubChem CID: 68934630
• Molecular Formula: C20H27N3O6S
• Molecular Weight: 437.52 g/mol
• Exact Mass: 437.16
• IUPAC Name: butanoic acid;N-(2-hydroxyethyl)-4-oxo-N-propan-2-yl-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
• SMILES: CC(C)N(CCO)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]ccc3c2c1.CCCC(=O)O
• InChI: InChI=1S/C16H19N3O4S.C4H8O2/c1-10(2)19(7-8-20)24(22,23)11-3-4-14-13(9-11)12-5-6-17-15(12)16(21)18-14;1-2-3-4(5)6/h3-6,9-10,17,20H,7-8H2,1-2H3,(H,18,21);2-3H2,1H3,(H,5,6)
• InChIKey: ADCNZVWQJFVVBF-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 143.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.52
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of butanoic acid;N-(2-hydroxyethyl)-4-oxo-N-propan-2-yl-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?

The IUPAC name of butanoic acid;N-(2-hydroxyethyl)-4-oxo-N-propan-2-yl-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide (CID 68934630) is butanoic acid;N-(2-hydroxyethyl)-4-oxo-N-propan-2-yl-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide.

What is the SMILES notation for butanoic acid;N-(2-hydroxyethyl)-4-oxo-N-propan-2-yl-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?

The canonical SMILES for butanoic acid;N-(2-hydroxyethyl)-4-oxo-N-propan-2-yl-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide is CC(C)N(CCO)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]ccc3c2c1.CCCC(=O)O.

What is the InChIKey of butanoic acid;N-(2-hydroxyethyl)-4-oxo-N-propan-2-yl-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?

The InChIKey is ADCNZVWQJFVVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S.C4H8O2/c1-10(2)19(7-8-20)24(22,23)11-3-4-14-13(9-11)12-5-6-17-15(12)16(21)18-14;1-2-3-4(5)6/h3-6,9-10,17,20H,7-8H2,1-2H3,(H,18,21);2-3H2,1H3,(H,5,6).

What are the key properties of butanoic acid;N-(2-hydroxyethyl)-4-oxo-N-propan-2-yl-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?

butanoic acid;N-(2-hydroxyethyl)-4-oxo-N-propan-2-yl-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide has a molecular weight of 437.52 g/mol, XLogP of 2.27, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for butanoic acid;N-(2-hydroxyethyl)-4-oxo-N-propan-2-yl-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide is sourced from PubChem (CID 68934630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).