N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-(2,2,3-trimethylpyrrolidin-1-yl)quinoline-3-carboxamide

C24H28N4O4S — CID 175515453

About N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-(2,2,3-trimethylpyrrolidin-1-yl)quinoline-3-carboxamide

N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-(2,2,3-trimethylpyrrolidin-1-yl)quinoline-3-carboxamide (PubChem CID 175515453) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-(2,2,3-trimethylpyrrolidin-1-yl)quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-(2,2,3-trimethylpyrrolidin-1-yl)quinoline-3-carboxamide
• PubChem CID: 175515453
• Molecular Formula: C24H28N4O4S
• Molecular Weight: 468.58 g/mol
• Exact Mass: 468.18
• IUPAC Name: N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-(2,2,3-trimethylpyrrolidin-1-yl)quinoline-3-carboxamide
• SMILES: COc1ncccc1S(=O)(=O)NC(=O)c1cc2ccc(C)cc2nc1N1CCC(C)C1(C)C
• InChI: InChI=1S/C24H28N4O4S/c1-15-8-9-17-14-18(21(26-19(17)13-15)28-12-10-16(2)24(28,3)4)22(29)27-33(30,31)20-7-6-11-25-23(20)32-5/h6-9,11,13-14,16H,10,12H2,1-5H3,(H,27,29)
• InChIKey: HIRQYGUGXXSTOV-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 101.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.58
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-(2,2,3-trimethylpyrrolidin-1-yl)quinoline-3-carboxamide?

The IUPAC name of N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-(2,2,3-trimethylpyrrolidin-1-yl)quinoline-3-carboxamide (CID 175515453) is N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-(2,2,3-trimethylpyrrolidin-1-yl)quinoline-3-carboxamide.

What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-(2,2,3-trimethylpyrrolidin-1-yl)quinoline-3-carboxamide?

The canonical SMILES for N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-(2,2,3-trimethylpyrrolidin-1-yl)quinoline-3-carboxamide is COc1ncccc1S(=O)(=O)NC(=O)c1cc2ccc(C)cc2nc1N1CCC(C)C1(C)C.

What is the InChIKey of N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-(2,2,3-trimethylpyrrolidin-1-yl)quinoline-3-carboxamide?

The InChIKey is HIRQYGUGXXSTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-15-8-9-17-14-18(21(26-19(17)13-15)28-12-10-16(2)24(28,3)4)22(29)27-33(30,31)20-7-6-11-25-23(20)32-5/h6-9,11,13-14,16H,10,12H2,1-5H3,(H,27,29).

What are the key properties of N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-(2,2,3-trimethylpyrrolidin-1-yl)quinoline-3-carboxamide?

N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-(2,2,3-trimethylpyrrolidin-1-yl)quinoline-3-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-(2,2,3-trimethylpyrrolidin-1-yl)quinoline-3-carboxamide is sourced from PubChem (CID 175515453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).