2-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine

C14H18N4O3S — CID 160565396

IUPAC2-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine
SMILESCS(=O)(=O)N1CCC(Oc2nc(N)c3ccccc3n2)CC1
InChIInChI=1S/C14H18N4O3S/c1-22(19,20)18-8-6-10(7-9-18)21-14-16-12-5-3-2-4-11(12)13(15)17-14/h2-5,10H,6-9H2,1H3,(H2,15,16,17)
InChIKeyQZVUZUMUSUTSSD-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.01
Rot. Bonds3

About 2-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine

2-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine (PubChem CID 160565396) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine.

Molecular Properties

Compound Name2-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine
PubChem CID160565396
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name2-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine
SMILESCS(=O)(=O)N1CCC(Oc2nc(N)c3ccccc3n2)CC1
InChIInChI=1S/C14H18N4O3S/c1-22(19,20)18-8-6-10(7-9-18)21-14-16-12-5-3-2-4-11(12)13(15)17-14/h2-5,10H,6-9H2,1H3,(H2,15,16,17)
InChIKeyQZVUZUMUSUTSSD-UHFFFAOYSA-N
XLogP1.01
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine?
The IUPAC name of 2-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine (CID 160565396) is 2-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine.
What is the SMILES notation for 2-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine?
The canonical SMILES for 2-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine is CS(=O)(=O)N1CCC(Oc2nc(N)c3ccccc3n2)CC1.
What is the InChIKey of 2-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine?
The InChIKey is QZVUZUMUSUTSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-22(19,20)18-8-6-10(7-9-18)21-14-16-12-5-3-2-4-11(12)13(15)17-14/h2-5,10H,6-9H2,1H3,(H2,15,16,17).
What are the key properties of 2-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine?
2-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine has a molecular weight of 322.39 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine is sourced from PubChem (CID 160565396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).