N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide

C23H33N5O4S — CID 3238145

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide (PubChem CID 3238145) has the molecular formula C23H33N5O4S and a molecular weight of 475.62 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide
• PubChem CID: 3238145
• Molecular Formula: C23H33N5O4S
• Molecular Weight: 475.62 g/mol
• Exact Mass: 475.23
• IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide
• SMILES: CCN1CCCC1CNC(=O)Cn1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O
• InChI: InChI=1S/C23H33N5O4S/c1-3-26-10-4-5-18(26)14-24-22(29)15-27-16-25-21-7-6-19(13-20(21)23(27)30)33(31,32)28-11-8-17(2)9-12-28/h6-7,13,16-18H,3-5,8-12,14-15H2,1-2H3,(H,24,29)
• InChIKey: QWMKKLVOTXJBIM-UHFFFAOYSA-N
• XLogP: 1.42
• TPSA: 104.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.62
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide?

The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide (CID 3238145) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide.

What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide?

The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide is CCN1CCCC1CNC(=O)Cn1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O.

What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide?

The InChIKey is QWMKKLVOTXJBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O4S/c1-3-26-10-4-5-18(26)14-24-22(29)15-27-16-25-21-7-6-19(13-20(21)23(27)30)33(31,32)28-11-8-17(2)9-12-28/h6-7,13,16-18H,3-5,8-12,14-15H2,1-2H3,(H,24,29).

What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide?

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 475.62 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 3238145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).