1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl quinoline-2-carboxylate

C19H14N4O3 — CID 46688253

IUPAC1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl quinoline-2-carboxylate
SMILESCC(OC(=O)c1ccc2ccccc2n1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C19H14N4O3/c1-12(18-22-17(23-26-18)14-6-4-10-20-11-14)25-19(24)16-9-8-13-5-2-3-7-15(13)21-16/h2-12H,1H3
InChIKeyPTBZCGVSMVZIHZ-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.60
Rot. Bonds4

About 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl quinoline-2-carboxylate

1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl quinoline-2-carboxylate (PubChem CID 46688253) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl quinoline-2-carboxylate.

Molecular Properties

Compound Name1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl quinoline-2-carboxylate
PubChem CID46688253
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Name1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl quinoline-2-carboxylate
SMILESCC(OC(=O)c1ccc2ccccc2n1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C19H14N4O3/c1-12(18-22-17(23-26-18)14-6-4-10-20-11-14)25-19(24)16-9-8-13-5-2-3-7-15(13)21-16/h2-12H,1H3
InChIKeyPTBZCGVSMVZIHZ-UHFFFAOYSA-N
XLogP3.60
TPSA91.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl] 2,6-dimethoxybenzoate
CID 52562351
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methylfuran-2-carboxylate
CID 46544316
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2,2-diphenylacetate
CID 46688129
[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl] 2-hydroxy-5-methylbenzoate
CID 52562250
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 55530161
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-bromophenyl)acetate
CID 46548702
N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]quinoline-2-carboxamide
CID 30332916
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-methylphenyl)thiophene-2-carboxylate
CID 55528627
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 55546414
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62627315
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 7-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 55547075
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-chloro-2-nitrobenzoate
CID 46526124

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl quinoline-2-carboxylate?
The IUPAC name of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl quinoline-2-carboxylate (CID 46688253) is 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl quinoline-2-carboxylate.
What is the SMILES notation for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl quinoline-2-carboxylate?
The canonical SMILES for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl quinoline-2-carboxylate is CC(OC(=O)c1ccc2ccccc2n1)c1nc(-c2cccnc2)no1.
What is the InChIKey of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl quinoline-2-carboxylate?
The InChIKey is PTBZCGVSMVZIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c1-12(18-22-17(23-26-18)14-6-4-10-20-11-14)25-19(24)16-9-8-13-5-2-3-7-15(13)21-16/h2-12H,1H3.
What are the key properties of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl quinoline-2-carboxylate?
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl quinoline-2-carboxylate has a molecular weight of 346.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl quinoline-2-carboxylate is sourced from PubChem (CID 46688253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).