1,2,4-oxadiazol-3-ylmethyl 2-(2-chlorophenyl)quinoline-4-carboxylate

C19H12ClN3O3 — CID 17493068

IUPAC1,2,4-oxadiazol-3-ylmethyl 2-(2-chlorophenyl)quinoline-4-carboxylate
SMILESO=C(OCc1ncon1)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C19H12ClN3O3/c20-15-7-3-1-6-13(15)17-9-14(12-5-2-4-8-16(12)22-17)19(24)25-10-18-21-11-26-23-18/h1-9,11H,10H2
InChIKeyVAWCKCHDPPCSQR-UHFFFAOYSA-N
MW365.78 g/mol
LogP4.30
Rot. Bonds4

About 1,2,4-oxadiazol-3-ylmethyl 2-(2-chlorophenyl)quinoline-4-carboxylate

1,2,4-oxadiazol-3-ylmethyl 2-(2-chlorophenyl)quinoline-4-carboxylate (PubChem CID 17493068) has the molecular formula C19H12ClN3O3 and a molecular weight of 365.78 g/mol. Its IUPAC name is 1,2,4-oxadiazol-3-ylmethyl 2-(2-chlorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name1,2,4-oxadiazol-3-ylmethyl 2-(2-chlorophenyl)quinoline-4-carboxylate
PubChem CID17493068
Molecular FormulaC19H12ClN3O3
Molecular Weight365.78 g/mol
Exact Mass365.06
IUPAC Name1,2,4-oxadiazol-3-ylmethyl 2-(2-chlorophenyl)quinoline-4-carboxylate
SMILESO=C(OCc1ncon1)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C19H12ClN3O3/c20-15-7-3-1-6-13(15)17-9-14(12-5-2-4-8-16(12)22-17)19(24)25-10-18-21-11-26-23-18/h1-9,11H,10H2
InChIKeyVAWCKCHDPPCSQR-UHFFFAOYSA-N
XLogP4.30
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2373664
[2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126191212
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 8663404
(4-tert-butyl-2,6-dimethylphenyl)methyl 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 3993982
2-(2-chlorophenoxy)ethyl 2-naphthalen-1-ylquinoline-4-carboxylate
CID 4551994
[2-(diethylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2092168
benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126189047
(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 18076503
(2-butoxy-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 16569056
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 8648992
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132

Frequently Asked Questions

What is the IUPAC name of 1,2,4-oxadiazol-3-ylmethyl 2-(2-chlorophenyl)quinoline-4-carboxylate?
The IUPAC name of 1,2,4-oxadiazol-3-ylmethyl 2-(2-chlorophenyl)quinoline-4-carboxylate (CID 17493068) is 1,2,4-oxadiazol-3-ylmethyl 2-(2-chlorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for 1,2,4-oxadiazol-3-ylmethyl 2-(2-chlorophenyl)quinoline-4-carboxylate?
The canonical SMILES for 1,2,4-oxadiazol-3-ylmethyl 2-(2-chlorophenyl)quinoline-4-carboxylate is O=C(OCc1ncon1)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 1,2,4-oxadiazol-3-ylmethyl 2-(2-chlorophenyl)quinoline-4-carboxylate?
The InChIKey is VAWCKCHDPPCSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O3/c20-15-7-3-1-6-13(15)17-9-14(12-5-2-4-8-16(12)22-17)19(24)25-10-18-21-11-26-23-18/h1-9,11H,10H2.
What are the key properties of 1,2,4-oxadiazol-3-ylmethyl 2-(2-chlorophenyl)quinoline-4-carboxylate?
1,2,4-oxadiazol-3-ylmethyl 2-(2-chlorophenyl)quinoline-4-carboxylate has a molecular weight of 365.78 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-oxadiazol-3-ylmethyl 2-(2-chlorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 17493068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).