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

C14H11N3O3 — CID 7812565

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate
SMILESCc1nnc(COC(=O)c2ccc3ccccc3n2)o1
InChIInChI=1S/C14H11N3O3/c1-9-16-17-13(20-9)8-19-14(18)12-7-6-10-4-2-3-5-11(10)15-12/h2-7H,8H2,1H3
InChIKeyYMUXAKVVZJVTHW-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.28
Rot. Bonds3

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

(5-methyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate (PubChem CID 7812565) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate
PubChem CID7812565
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate
SMILESCc1nnc(COC(=O)c2ccc3ccccc3n2)o1
InChIInChI=1S/C14H11N3O3/c1-9-16-17-13(20-9)8-19-14(18)12-7-6-10-4-2-3-5-11(10)15-12/h2-7H,8H2,1H3
InChIKeyYMUXAKVVZJVTHW-UHFFFAOYSA-N
XLogP2.28
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methylphenyl)methyl quinoline-2-carboxylate
CID 7813134
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate
CID 18199717
(4-phenylphenyl)methyl quinoline-2-carboxylate
CID 4968223
(4-chlorophenyl)methyl quinoline-2-carboxylate
CID 2630806
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-bromothiophene-2-carboxylate
CID 18085468
[dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate
CID 139238801
(2-bromo-4,5-dimethoxyphenyl)methyl quinoline-2-carboxylate
CID 8862362
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoxaline-2-carboxylate
CID 8610510
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 8820337
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 32611315
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl quinoline-2-carboxylate
CID 27677382
2-ethylbutanoyl quinoline-2-carboxylate
CID 18335639

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate (CID 7812565) is (5-methyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate is Cc1nnc(COC(=O)c2ccc3ccccc3n2)o1.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate?
The InChIKey is YMUXAKVVZJVTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-9-16-17-13(20-9)8-19-14(18)12-7-6-10-4-2-3-5-11(10)15-12/h2-7H,8H2,1H3.
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate?
(5-methyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate is sourced from PubChem (CID 7812565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).