(5-chloroquinolin-8-yl) thiadiazole-4-carboxylate

C12H6ClN3O2S — CID 13281667

IUPAC(5-chloroquinolin-8-yl) thiadiazole-4-carboxylate
SMILESO=C(Oc1ccc(Cl)c2cccnc12)c1csnn1
InChIInChI=1S/C12H6ClN3O2S/c13-8-3-4-10(11-7(8)2-1-5-14-11)18-12(17)9-6-19-16-15-9/h1-6H
InChIKeyRSRAZPQCFLTXBF-UHFFFAOYSA-N
MW291.72 g/mol
LogP2.96
Rot. Bonds2

About (5-chloroquinolin-8-yl) thiadiazole-4-carboxylate

(5-chloroquinolin-8-yl) thiadiazole-4-carboxylate (PubChem CID 13281667) has the molecular formula C12H6ClN3O2S and a molecular weight of 291.72 g/mol. Its IUPAC name is (5-chloroquinolin-8-yl) thiadiazole-4-carboxylate.

Molecular Properties

Compound Name(5-chloroquinolin-8-yl) thiadiazole-4-carboxylate
PubChem CID13281667
Molecular FormulaC12H6ClN3O2S
Molecular Weight291.72 g/mol
Exact Mass290.99
IUPAC Name(5-chloroquinolin-8-yl) thiadiazole-4-carboxylate
SMILESO=C(Oc1ccc(Cl)c2cccnc12)c1csnn1
InChIInChI=1S/C12H6ClN3O2S/c13-8-3-4-10(11-7(8)2-1-5-14-11)18-12(17)9-6-19-16-15-9/h1-6H
InChIKeyRSRAZPQCFLTXBF-UHFFFAOYSA-N
XLogP2.96
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.72
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (5-chloroquinolin-8-yl) thiadiazole-4-carboxylate 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

(5-chloroquinolin-8-yl) pyridin-1-ium-4-carboxylate
CID 4741373
(4-chloronaphthalen-1-yl) pyridine-2-carboxylate
CID 18075291
(5-chloroquinolin-8-yl) 3-methylbenzoate
CID 751736
(5-chloroquinolin-8-yl) N,N-diethylcarbamate
CID 712597
(5-chloroquinolin-8-yl) 3-pyrrolidin-1-ylsulfonylbenzoate
CID 8716504
CID 12945983
CID 12945983
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide
CID 3865457
ethyl 2-[(5-chloroquinolin-8-yl)oxycarbonylamino]acetate
CID 13338827
(4-chloroquinolin-8-yl) acetate
CID 175576508
(5-chloroquinolin-8-yl) methanesulfonate
CID 86302357
2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8716298

Frequently Asked Questions

What is the IUPAC name of (5-chloroquinolin-8-yl) thiadiazole-4-carboxylate?
The IUPAC name of (5-chloroquinolin-8-yl) thiadiazole-4-carboxylate (CID 13281667) is (5-chloroquinolin-8-yl) thiadiazole-4-carboxylate.
What is the SMILES notation for (5-chloroquinolin-8-yl) thiadiazole-4-carboxylate?
The canonical SMILES for (5-chloroquinolin-8-yl) thiadiazole-4-carboxylate is O=C(Oc1ccc(Cl)c2cccnc12)c1csnn1.
What is the InChIKey of (5-chloroquinolin-8-yl) thiadiazole-4-carboxylate?
The InChIKey is RSRAZPQCFLTXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClN3O2S/c13-8-3-4-10(11-7(8)2-1-5-14-11)18-12(17)9-6-19-16-15-9/h1-6H.
What are the key properties of (5-chloroquinolin-8-yl) thiadiazole-4-carboxylate?
(5-chloroquinolin-8-yl) thiadiazole-4-carboxylate has a molecular weight of 291.72 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloroquinolin-8-yl) thiadiazole-4-carboxylate is sourced from PubChem (CID 13281667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).