2-(2-pyridin-3-ylquinazolin-4-yl)sulfanylethanol

C15H13N3OS — CID 2549726

IUPAC2-(2-pyridin-3-ylquinazolin-4-yl)sulfanylethanol
SMILESOCCSc1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C15H13N3OS/c19-8-9-20-15-12-5-1-2-6-13(12)17-14(18-15)11-4-3-7-16-10-11/h1-7,10,19H,8-9H2
InChIKeyZKUKVMUAGWVXHE-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.78
Rot. Bonds4

About 2-(2-pyridin-3-ylquinazolin-4-yl)sulfanylethanol

2-(2-pyridin-3-ylquinazolin-4-yl)sulfanylethanol (PubChem CID 2549726) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(2-pyridin-3-ylquinazolin-4-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(2-pyridin-3-ylquinazolin-4-yl)sulfanylethanol
PubChem CID2549726
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-(2-pyridin-3-ylquinazolin-4-yl)sulfanylethanol
SMILESOCCSc1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C15H13N3OS/c19-8-9-20-15-12-5-1-2-6-13(12)17-14(18-15)11-4-3-7-16-10-11/h1-7,10,19H,8-9H2
InChIKeyZKUKVMUAGWVXHE-UHFFFAOYSA-N
XLogP2.78
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-ylquinazolin-4-yl)sulfanylethanol?
The IUPAC name of 2-(2-pyridin-3-ylquinazolin-4-yl)sulfanylethanol (CID 2549726) is 2-(2-pyridin-3-ylquinazolin-4-yl)sulfanylethanol.
What is the SMILES notation for 2-(2-pyridin-3-ylquinazolin-4-yl)sulfanylethanol?
The canonical SMILES for 2-(2-pyridin-3-ylquinazolin-4-yl)sulfanylethanol is OCCSc1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of 2-(2-pyridin-3-ylquinazolin-4-yl)sulfanylethanol?
The InChIKey is ZKUKVMUAGWVXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c19-8-9-20-15-12-5-1-2-6-13(12)17-14(18-15)11-4-3-7-16-10-11/h1-7,10,19H,8-9H2.
What are the key properties of 2-(2-pyridin-3-ylquinazolin-4-yl)sulfanylethanol?
2-(2-pyridin-3-ylquinazolin-4-yl)sulfanylethanol has a molecular weight of 283.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-ylquinazolin-4-yl)sulfanylethanol is sourced from PubChem (CID 2549726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).