2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone

C19H23N3OS — CID 856987

IUPAC2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CSc2nc(C3CC3)nc3ccccc23)CC1
InChIInChI=1S/C19H23N3OS/c1-13-8-10-22(11-9-13)17(23)12-24-19-15-4-2-3-5-16(15)20-18(21-19)14-6-7-14/h2-5,13-14H,6-12H2,1H3
InChIKeyYLNMZZKQOYUUPE-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.86
Rot. Bonds4

About 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone

2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 856987) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID856987
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CSc2nc(C3CC3)nc3ccccc23)CC1
InChIInChI=1S/C19H23N3OS/c1-13-8-10-22(11-9-13)17(23)12-24-19-15-4-2-3-5-16(15)20-18(21-19)14-6-7-14/h2-5,13-14H,6-12H2,1H3
InChIKeyYLNMZZKQOYUUPE-UHFFFAOYSA-N
XLogP3.86
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone (CID 856987) is 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CSc2nc(C3CC3)nc3ccccc23)CC1.
What is the InChIKey of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is YLNMZZKQOYUUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-13-8-10-22(11-9-13)17(23)12-24-19-15-4-2-3-5-16(15)20-18(21-19)14-6-7-14/h2-5,13-14H,6-12H2,1H3.
What are the key properties of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone?
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 341.48 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 856987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).