1-pyrrolidin-1-yl-2-quinazolin-4-ylsulfanylethanone

C14H15N3OS — CID 4551247

IUPAC1-pyrrolidin-1-yl-2-quinazolin-4-ylsulfanylethanone
SMILESO=C(CSc1ncnc2ccccc12)N1CCCC1
InChIInChI=1S/C14H15N3OS/c18-13(17-7-3-4-8-17)9-19-14-11-5-1-2-6-12(11)15-10-16-14/h1-2,5-6,10H,3-4,7-9H2
InChIKeyUYPTUOMSJQFFOD-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.34
Rot. Bonds3

About 1-pyrrolidin-1-yl-2-quinazolin-4-ylsulfanylethanone

1-pyrrolidin-1-yl-2-quinazolin-4-ylsulfanylethanone (PubChem CID 4551247) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-quinazolin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-quinazolin-4-ylsulfanylethanone
PubChem CID4551247
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-pyrrolidin-1-yl-2-quinazolin-4-ylsulfanylethanone
SMILESO=C(CSc1ncnc2ccccc12)N1CCCC1
InChIInChI=1S/C14H15N3OS/c18-13(17-7-3-4-8-17)9-19-14-11-5-1-2-6-12(11)15-10-16-14/h1-2,5-6,10H,3-4,7-9H2
InChIKeyUYPTUOMSJQFFOD-UHFFFAOYSA-N
XLogP2.34
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-quinazolin-4-ylsulfanylethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-quinazolin-4-ylsulfanylethanone (CID 4551247) is 1-pyrrolidin-1-yl-2-quinazolin-4-ylsulfanylethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-quinazolin-4-ylsulfanylethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-quinazolin-4-ylsulfanylethanone is O=C(CSc1ncnc2ccccc12)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-quinazolin-4-ylsulfanylethanone?
The InChIKey is UYPTUOMSJQFFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-13(17-7-3-4-8-17)9-19-14-11-5-1-2-6-12(11)15-10-16-14/h1-2,5-6,10H,3-4,7-9H2.
What are the key properties of 1-pyrrolidin-1-yl-2-quinazolin-4-ylsulfanylethanone?
1-pyrrolidin-1-yl-2-quinazolin-4-ylsulfanylethanone has a molecular weight of 273.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-quinazolin-4-ylsulfanylethanone is sourced from PubChem (CID 4551247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).