4-(1-methyl-2-oxo-4H-quinazolin-3-yl)piperidine-1-sulfonamide

C14H20N4O3S — CID 23627343

IUPAC4-(1-methyl-2-oxo-4H-quinazolin-3-yl)piperidine-1-sulfonamide
SMILESCN1C(=O)N(C2CCN(S(N)(=O)=O)CC2)Cc2ccccc21
InChIInChI=1S/C14H20N4O3S/c1-16-13-5-3-2-4-11(13)10-18(14(16)19)12-6-8-17(9-7-12)22(15,20)21/h2-5,12H,6-10H2,1H3,(H2,15,20,21)
InChIKeyWJCMUAKKKYCJEU-UHFFFAOYSA-N
MW324.41 g/mol
LogP0.73
Rot. Bonds2

About 4-(1-methyl-2-oxo-4H-quinazolin-3-yl)piperidine-1-sulfonamide

4-(1-methyl-2-oxo-4H-quinazolin-3-yl)piperidine-1-sulfonamide (PubChem CID 23627343) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-(1-methyl-2-oxo-4H-quinazolin-3-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(1-methyl-2-oxo-4H-quinazolin-3-yl)piperidine-1-sulfonamide
PubChem CID23627343
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name4-(1-methyl-2-oxo-4H-quinazolin-3-yl)piperidine-1-sulfonamide
SMILESCN1C(=O)N(C2CCN(S(N)(=O)=O)CC2)Cc2ccccc21
InChIInChI=1S/C14H20N4O3S/c1-16-13-5-3-2-4-11(13)10-18(14(16)19)12-6-8-17(9-7-12)22(15,20)21/h2-5,12H,6-10H2,1H3,(H2,15,20,21)
InChIKeyWJCMUAKKKYCJEU-UHFFFAOYSA-N
XLogP0.73
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2-oxo-4H-quinazolin-3-yl)piperidine-1-sulfonamide?
The IUPAC name of 4-(1-methyl-2-oxo-4H-quinazolin-3-yl)piperidine-1-sulfonamide (CID 23627343) is 4-(1-methyl-2-oxo-4H-quinazolin-3-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(1-methyl-2-oxo-4H-quinazolin-3-yl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(1-methyl-2-oxo-4H-quinazolin-3-yl)piperidine-1-sulfonamide is CN1C(=O)N(C2CCN(S(N)(=O)=O)CC2)Cc2ccccc21.
What is the InChIKey of 4-(1-methyl-2-oxo-4H-quinazolin-3-yl)piperidine-1-sulfonamide?
The InChIKey is WJCMUAKKKYCJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-16-13-5-3-2-4-11(13)10-18(14(16)19)12-6-8-17(9-7-12)22(15,20)21/h2-5,12H,6-10H2,1H3,(H2,15,20,21).
What are the key properties of 4-(1-methyl-2-oxo-4H-quinazolin-3-yl)piperidine-1-sulfonamide?
4-(1-methyl-2-oxo-4H-quinazolin-3-yl)piperidine-1-sulfonamide has a molecular weight of 324.41 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2-oxo-4H-quinazolin-3-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 23627343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).