N-[2-[4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C24H32N6O4S — CID 91919535

About N-[2-[4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-[2-[4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 91919535) has the molecular formula C24H32N6O4S and a molecular weight of 500.63 g/mol. Its IUPAC name is N-[2-[4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

• Compound Name: N-[2-[4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
• PubChem CID: 91919535
• Molecular Formula: C24H32N6O4S
• Molecular Weight: 500.63 g/mol
• Exact Mass: 500.22
• IUPAC Name: N-[2-[4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
• SMILES: CN(CC(=O)N1CCC(Cc2nncn2CC2CC2)CC1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2
• InChI: InChI=1S/C24H32N6O4S/c1-28(35(33,34)20-5-6-21-19(13-20)4-7-23(31)26-21)15-24(32)29-10-8-17(9-11-29)12-22-27-25-16-30(22)14-18-2-3-18/h5-6,13,16-18H,2-4,7-12,14-15H2,1H3,(H,26,31)
• InChIKey: COJDDHOQGOJUHM-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 117.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.63
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?

The IUPAC name of N-[2-[4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 91919535) is N-[2-[4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

What is the SMILES notation for N-[2-[4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?

The canonical SMILES for N-[2-[4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is CN(CC(=O)N1CCC(Cc2nncn2CC2CC2)CC1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2.

What is the InChIKey of N-[2-[4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?

The InChIKey is COJDDHOQGOJUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O4S/c1-28(35(33,34)20-5-6-21-19(13-20)4-7-23(31)26-21)15-24(32)29-10-8-17(9-11-29)12-22-27-25-16-30(22)14-18-2-3-18/h5-6,13,16-18H,2-4,7-12,14-15H2,1H3,(H,26,31).

What are the key properties of N-[2-[4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?

N-[2-[4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 500.63 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 91919535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).