4-(7-chloroquinolin-4-yl)-2-(oxolan-3-yloxy)-1,3-thiazole

C16H13ClN2O2S — CID 166247483

IUPAC4-(7-chloroquinolin-4-yl)-2-(oxolan-3-yloxy)-1,3-thiazole
SMILESClc1ccc2c(-c3csc(OC4CCOC4)n3)ccnc2c1
InChIInChI=1S/C16H13ClN2O2S/c17-10-1-2-12-13(3-5-18-14(12)7-10)15-9-22-16(19-15)21-11-4-6-20-8-11/h1-3,5,7,9,11H,4,6,8H2
InChIKeyYBQXNBXSTFLFML-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.18
Rot. Bonds3

About 4-(7-chloroquinolin-4-yl)-2-(oxolan-3-yloxy)-1,3-thiazole

4-(7-chloroquinolin-4-yl)-2-(oxolan-3-yloxy)-1,3-thiazole (PubChem CID 166247483) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 4-(7-chloroquinolin-4-yl)-2-(oxolan-3-yloxy)-1,3-thiazole.

Molecular Properties

Compound Name4-(7-chloroquinolin-4-yl)-2-(oxolan-3-yloxy)-1,3-thiazole
PubChem CID166247483
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name4-(7-chloroquinolin-4-yl)-2-(oxolan-3-yloxy)-1,3-thiazole
SMILESClc1ccc2c(-c3csc(OC4CCOC4)n3)ccnc2c1
InChIInChI=1S/C16H13ClN2O2S/c17-10-1-2-12-13(3-5-18-14(12)7-10)15-9-22-16(19-15)21-11-4-6-20-8-11/h1-3,5,7,9,11H,4,6,8H2
InChIKeyYBQXNBXSTFLFML-UHFFFAOYSA-N
XLogP4.18
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloroquinolin-4-yl)-2-(oxolan-3-yloxy)-1,3-thiazole?
The IUPAC name of 4-(7-chloroquinolin-4-yl)-2-(oxolan-3-yloxy)-1,3-thiazole (CID 166247483) is 4-(7-chloroquinolin-4-yl)-2-(oxolan-3-yloxy)-1,3-thiazole.
What is the SMILES notation for 4-(7-chloroquinolin-4-yl)-2-(oxolan-3-yloxy)-1,3-thiazole?
The canonical SMILES for 4-(7-chloroquinolin-4-yl)-2-(oxolan-3-yloxy)-1,3-thiazole is Clc1ccc2c(-c3csc(OC4CCOC4)n3)ccnc2c1.
What is the InChIKey of 4-(7-chloroquinolin-4-yl)-2-(oxolan-3-yloxy)-1,3-thiazole?
The InChIKey is YBQXNBXSTFLFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c17-10-1-2-12-13(3-5-18-14(12)7-10)15-9-22-16(19-15)21-11-4-6-20-8-11/h1-3,5,7,9,11H,4,6,8H2.
What are the key properties of 4-(7-chloroquinolin-4-yl)-2-(oxolan-3-yloxy)-1,3-thiazole?
4-(7-chloroquinolin-4-yl)-2-(oxolan-3-yloxy)-1,3-thiazole has a molecular weight of 332.81 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloroquinolin-4-yl)-2-(oxolan-3-yloxy)-1,3-thiazole is sourced from PubChem (CID 166247483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).