2-(8-chloro-3-ethylquinolin-2-yl)-5-methyl-1,3,4-thiadiazole;isoindole-1,3-dione

C22H17ClN4O2S — CID 145483343

IUPAC2-(8-chloro-3-ethylquinolin-2-yl)-5-methyl-1,3,4-thiadiazole;isoindole-1,3-dione
SMILESCCc1cc2cccc(Cl)c2nc1-c1nnc(C)s1.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C14H12ClN3S.C8H5NO2/c1-3-9-7-10-5-4-6-11(15)12(10)16-13(9)14-18-17-8(2)19-14;10-7-5-3-1-2-4-6(5)8(11)9-7/h4-7H,3H2,1-2H3;1-4H,(H,9,10,11)
InChIKeyFYDPHUIZRPUNMQ-UHFFFAOYSA-N
MW436.92 g/mol
LogP4.85
Rot. Bonds2

About 2-(8-chloro-3-ethylquinolin-2-yl)-5-methyl-1,3,4-thiadiazole;isoindole-1,3-dione

2-(8-chloro-3-ethylquinolin-2-yl)-5-methyl-1,3,4-thiadiazole;isoindole-1,3-dione (PubChem CID 145483343) has the molecular formula C22H17ClN4O2S and a molecular weight of 436.92 g/mol. Its IUPAC name is 2-(8-chloro-3-ethylquinolin-2-yl)-5-methyl-1,3,4-thiadiazole;isoindole-1,3-dione.

Molecular Properties

Compound Name2-(8-chloro-3-ethylquinolin-2-yl)-5-methyl-1,3,4-thiadiazole;isoindole-1,3-dione
PubChem CID145483343
Molecular FormulaC22H17ClN4O2S
Molecular Weight436.92 g/mol
Exact Mass436.08
IUPAC Name2-(8-chloro-3-ethylquinolin-2-yl)-5-methyl-1,3,4-thiadiazole;isoindole-1,3-dione
SMILESCCc1cc2cccc(Cl)c2nc1-c1nnc(C)s1.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C14H12ClN3S.C8H5NO2/c1-3-9-7-10-5-4-6-11(15)12(10)16-13(9)14-18-17-8(2)19-14;10-7-5-3-1-2-4-6(5)8(11)9-7/h4-7H,3H2,1-2H3;1-4H,(H,9,10,11)
InChIKeyFYDPHUIZRPUNMQ-UHFFFAOYSA-N
XLogP4.85
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(8-chloro-3-ethylquinolin-2-yl)-5-methyl-1,3,4-thiadiazole;isoindole-1,3-dione with MolForge

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Related Compounds

2-((S)-1-(8-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)quinolin-3-yl)ethyl)isoindoline-1,3-dione
CID 57707829
2-[1-[8-Chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione
CID 76599348
8-Chloro-2-ethenyl-3-ethylquinoline;isoindole-1,3-dione
CID 145483320
2,8-Dichloro-3-ethylquinoline;isoindole-1,3-dione
CID 145483325
N'-acetyl-8-chloro-3-ethylquinoline-2-carbohydrazide;isoindole-1,3-dione
CID 145483347
2-[(1S)-1-[8-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)quinolin-3-yl]ethyl]-3-hydroxy-3H-isoindol-1-one
CID 146366196
N'-acetyl-8-chloro-3-[(1S)-1-(1,3-dioxoisoindol-2-yl)ethyl]quinoline-2-carbohydrazide;2-[(1S)-1-[8-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione
CID 157724336
(1S)-1-[8-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)quinolin-3-yl]ethanamine;2-[(1S)-1-[8-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione
CID 161309688
7-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108809712

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-3-ethylquinolin-2-yl)-5-methyl-1,3,4-thiadiazole;isoindole-1,3-dione?
The IUPAC name of 2-(8-chloro-3-ethylquinolin-2-yl)-5-methyl-1,3,4-thiadiazole;isoindole-1,3-dione (CID 145483343) is 2-(8-chloro-3-ethylquinolin-2-yl)-5-methyl-1,3,4-thiadiazole;isoindole-1,3-dione.
What is the SMILES notation for 2-(8-chloro-3-ethylquinolin-2-yl)-5-methyl-1,3,4-thiadiazole;isoindole-1,3-dione?
The canonical SMILES for 2-(8-chloro-3-ethylquinolin-2-yl)-5-methyl-1,3,4-thiadiazole;isoindole-1,3-dione is CCc1cc2cccc(Cl)c2nc1-c1nnc(C)s1.O=C1NC(=O)c2ccccc21.
What is the InChIKey of 2-(8-chloro-3-ethylquinolin-2-yl)-5-methyl-1,3,4-thiadiazole;isoindole-1,3-dione?
The InChIKey is FYDPHUIZRPUNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S.C8H5NO2/c1-3-9-7-10-5-4-6-11(15)12(10)16-13(9)14-18-17-8(2)19-14;10-7-5-3-1-2-4-6(5)8(11)9-7/h4-7H,3H2,1-2H3;1-4H,(H,9,10,11).
What are the key properties of 2-(8-chloro-3-ethylquinolin-2-yl)-5-methyl-1,3,4-thiadiazole;isoindole-1,3-dione?
2-(8-chloro-3-ethylquinolin-2-yl)-5-methyl-1,3,4-thiadiazole;isoindole-1,3-dione has a molecular weight of 436.92 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-3-ethylquinolin-2-yl)-5-methyl-1,3,4-thiadiazole;isoindole-1,3-dione is sourced from PubChem (CID 145483343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).