2-[[1-(6-methoxyquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide

C24H30N4O3S — CID 168791222

IUPAC2-[[1-(6-methoxyquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc2ncnc(N3CCCC(Cc4ccccc4S(=O)(=O)NC(C)C)C3)c2c1
InChIInChI=1S/C24H30N4O3S/c1-17(2)27-32(29,30)23-9-5-4-8-19(23)13-18-7-6-12-28(15-18)24-21-14-20(31-3)10-11-22(21)25-16-26-24/h4-5,8-11,14,16-18,27H,6-7,12-13,15H2,1-3H3
InChIKeyCREYKRSJXUUECB-UHFFFAOYSA-N
MW454.60 g/mol
LogP3.78
Rot. Bonds7

About 2-[[1-(6-methoxyquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide

2-[[1-(6-methoxyquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 168791222) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is 2-[[1-(6-methoxyquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-[[1-(6-methoxyquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID168791222
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC Name2-[[1-(6-methoxyquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc2ncnc(N3CCCC(Cc4ccccc4S(=O)(=O)NC(C)C)C3)c2c1
InChIInChI=1S/C24H30N4O3S/c1-17(2)27-32(29,30)23-9-5-4-8-19(23)13-18-7-6-12-28(15-18)24-21-14-20(31-3)10-11-22(21)25-16-26-24/h4-5,8-11,14,16-18,27H,6-7,12-13,15H2,1-3H3
InChIKeyCREYKRSJXUUECB-UHFFFAOYSA-N
XLogP3.78
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(6-methoxyquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-[[1-(6-methoxyquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide (CID 168791222) is 2-[[1-(6-methoxyquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-[[1-(6-methoxyquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-[[1-(6-methoxyquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide is COc1ccc2ncnc(N3CCCC(Cc4ccccc4S(=O)(=O)NC(C)C)C3)c2c1.
What is the InChIKey of 2-[[1-(6-methoxyquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is CREYKRSJXUUECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-17(2)27-32(29,30)23-9-5-4-8-19(23)13-18-7-6-12-28(15-18)24-21-14-20(31-3)10-11-22(21)25-16-26-24/h4-5,8-11,14,16-18,27H,6-7,12-13,15H2,1-3H3.
What are the key properties of 2-[[1-(6-methoxyquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide?
2-[[1-(6-methoxyquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 454.60 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(6-methoxyquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 168791222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).