7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine

C14H17ClN4O2S — CID 24632856

IUPAC7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine
SMILESCS(=O)(=O)N1CCC(Nc2ncnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C14H17ClN4O2S/c1-22(20,21)19-6-4-11(5-7-19)18-14-12-3-2-10(15)8-13(12)16-9-17-14/h2-3,8-9,11H,4-7H2,1H3,(H,16,17,18)
InChIKeyIMGYWMAYVRTYBR-UHFFFAOYSA-N
MW340.84 g/mol
LogP2.12
Rot. Bonds3

About 7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine

7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine (PubChem CID 24632856) has the molecular formula C14H17ClN4O2S and a molecular weight of 340.84 g/mol. Its IUPAC name is 7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine
PubChem CID24632856
Molecular FormulaC14H17ClN4O2S
Molecular Weight340.84 g/mol
Exact Mass340.08
IUPAC Name7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine
SMILESCS(=O)(=O)N1CCC(Nc2ncnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C14H17ClN4O2S/c1-22(20,21)19-6-4-11(5-7-19)18-14-12-3-2-10(15)8-13(12)16-9-17-14/h2-3,8-9,11H,4-7H2,1H3,(H,16,17,18)
InChIKeyIMGYWMAYVRTYBR-UHFFFAOYSA-N
XLogP2.12
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine?
The IUPAC name of 7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine (CID 24632856) is 7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine?
The canonical SMILES for 7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine is CS(=O)(=O)N1CCC(Nc2ncnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine?
The InChIKey is IMGYWMAYVRTYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2S/c1-22(20,21)19-6-4-11(5-7-19)18-14-12-3-2-10(15)8-13(12)16-9-17-14/h2-3,8-9,11H,4-7H2,1H3,(H,16,17,18).
What are the key properties of 7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine?
7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine has a molecular weight of 340.84 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine is sourced from PubChem (CID 24632856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).