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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(oxetan-3-yloxy)-1,3-thiazole
CID 102606214
2-(oxolan-3-yloxy)quinazoline
CID 67362717
(3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129352772
7-(oxolan-3-yloxy)quinazolin-4-amine
CID 150616160
1-[[7-chloro-4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one
CID 118058522
N-methyl-4-[(3R)-oxolan-3-yl]oxypyridin-2-amine
CID 178043736
[5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63558607
2-[(3S)-oxolan-3-yl]oxy-4-propan-2-ylpyrimidine
CID 130436955
5-chloro-N-(1,4-dioxan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 54908439
4,7-dichloroquinoline
CID 6866
4-(oxolan-3-yloxy)pyridine-2-carboxylic acid
CID 63556832
methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate
CID 104775264

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).