2,4-dimethyl-N-[2-methyl-5-[3-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]-1,3-thiazole-5-sulfonamide

C27H30N6O4S2 — CID 148866211

About 2,4-dimethyl-N-[2-methyl-5-[3-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]-1,3-thiazole-5-sulfonamide

2,4-dimethyl-N-[2-methyl-5-[3-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]-1,3-thiazole-5-sulfonamide (PubChem CID 148866211) has the molecular formula C27H30N6O4S2 and a molecular weight of 566.71 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-methyl-5-[3-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

• Compound Name: 2,4-dimethyl-N-[2-methyl-5-[3-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]-1,3-thiazole-5-sulfonamide
• PubChem CID: 148866211
• Molecular Formula: C27H30N6O4S2
• Molecular Weight: 566.71 g/mol
• Exact Mass: 566.18
• IUPAC Name: 2,4-dimethyl-N-[2-methyl-5-[3-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]-1,3-thiazole-5-sulfonamide
• SMILES: Cc1nc(C)c(S(=O)(=O)Nc2cc(-c3ccc4ncn(CC(C)C(=O)N5CCCC5)c(=O)c4c3)cnc2C)s1
• InChI: InChI=1S/C27H30N6O4S2/c1-16(25(34)32-9-5-6-10-32)14-33-15-29-23-8-7-20(11-22(23)26(33)35)21-12-24(17(2)28-13-21)31-39(36,37)27-18(3)30-19(4)38-27/h7-8,11-13,15-16,31H,5-6,9-10,14H2,1-4H3
• InChIKey: PAGVFKDPWMZELQ-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 127.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.71
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-methyl-5-[3-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]-1,3-thiazole-5-sulfonamide?

The IUPAC name of 2,4-dimethyl-N-[2-methyl-5-[3-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]-1,3-thiazole-5-sulfonamide (CID 148866211) is 2,4-dimethyl-N-[2-methyl-5-[3-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]-1,3-thiazole-5-sulfonamide.

What is the SMILES notation for 2,4-dimethyl-N-[2-methyl-5-[3-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]-1,3-thiazole-5-sulfonamide?

The canonical SMILES for 2,4-dimethyl-N-[2-methyl-5-[3-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]-1,3-thiazole-5-sulfonamide is Cc1nc(C)c(S(=O)(=O)Nc2cc(-c3ccc4ncn(CC(C)C(=O)N5CCCC5)c(=O)c4c3)cnc2C)s1.

What is the InChIKey of 2,4-dimethyl-N-[2-methyl-5-[3-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]-1,3-thiazole-5-sulfonamide?

The InChIKey is PAGVFKDPWMZELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O4S2/c1-16(25(34)32-9-5-6-10-32)14-33-15-29-23-8-7-20(11-22(23)26(33)35)21-12-24(17(2)28-13-21)31-39(36,37)27-18(3)30-19(4)38-27/h7-8,11-13,15-16,31H,5-6,9-10,14H2,1-4H3.

What are the key properties of 2,4-dimethyl-N-[2-methyl-5-[3-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]-1,3-thiazole-5-sulfonamide?

2,4-dimethyl-N-[2-methyl-5-[3-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 566.71 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-N-[2-methyl-5-[3-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 148866211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).