5-[5-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1,2,4-oxadiazol-3-yl]quinolin-3-ol

C19H14N4O2 — CID 167945986

IUPAC5-[5-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1,2,4-oxadiazol-3-yl]quinolin-3-ol
SMILESCc1ccncc1/C=C/c1nc(-c2cccc3ncc(O)cc23)no1
InChIInChI=1S/C19H14N4O2/c1-12-7-8-20-10-13(12)5-6-18-22-19(23-25-18)15-3-2-4-17-16(15)9-14(24)11-21-17/h2-11,24H,1H3/b6-5+
InChIKeyCMZWTLUPDLDEHL-AATRIKPKSA-N
MW330.35 g/mol
LogP3.86
Rot. Bonds3

About 5-[5-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1,2,4-oxadiazol-3-yl]quinolin-3-ol

5-[5-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1,2,4-oxadiazol-3-yl]quinolin-3-ol (PubChem CID 167945986) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 5-[5-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1,2,4-oxadiazol-3-yl]quinolin-3-ol.

Molecular Properties

Compound Name5-[5-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1,2,4-oxadiazol-3-yl]quinolin-3-ol
PubChem CID167945986
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name5-[5-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1,2,4-oxadiazol-3-yl]quinolin-3-ol
SMILESCc1ccncc1/C=C/c1nc(-c2cccc3ncc(O)cc23)no1
InChIInChI=1S/C19H14N4O2/c1-12-7-8-20-10-13(12)5-6-18-22-19(23-25-18)15-3-2-4-17-16(15)9-14(24)11-21-17/h2-11,24H,1H3/b6-5+
InChIKeyCMZWTLUPDLDEHL-AATRIKPKSA-N
XLogP3.86
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[5-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1,2,4-oxadiazol-3-yl]quinolin-3-ol with MolForge

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Related Compounds

7-[5-[(4-Fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,6-naphthyridin-8-ol
CID 135496164
7-(5-Benzyl-1,2,4-oxadiazol-3-yl)-1,6-naphthyridin-8-ol
CID 135519339
4-[3-(5-Ethyl-1,2,4-oxadiazol-3-yl)quinolin-6-yl]phenol
CID 168298556
4-[3-(5-Methyl-1,2,4-oxadiazol-3-yl)quinolin-6-yl]phenol
CID 168299161
7-(5-Phenyl-1,2,4-oxadiazol-3-yl)-1,6-naphthyridin-8-ol
CID 135869504
1-[(8-Methoxyquinolin-5-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 145423087
1-(8-methoxyquinolin-5-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 25380936
5-(4,6-Dimethoxy-1,3,5-triazin-2-yl)quinolin-8-ol
CID 136835615
7-[5-(4-Fluorobenzyl)-1,2,4-oxadiazol-3-yl][1,6]naphthyridin-8-ol hydrochloride
CID 136338546
2-({Methyl[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino}methyl)quinolin-8-ol
CID 56705451
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxy-N-methylquinoline-4-carboxamide
CID 71971031
5-[(E)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]pyridin-3-ol
CID 86801309

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1,2,4-oxadiazol-3-yl]quinolin-3-ol?
The IUPAC name of 5-[5-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1,2,4-oxadiazol-3-yl]quinolin-3-ol (CID 167945986) is 5-[5-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1,2,4-oxadiazol-3-yl]quinolin-3-ol.
What is the SMILES notation for 5-[5-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1,2,4-oxadiazol-3-yl]quinolin-3-ol?
The canonical SMILES for 5-[5-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1,2,4-oxadiazol-3-yl]quinolin-3-ol is Cc1ccncc1/C=C/c1nc(-c2cccc3ncc(O)cc23)no1.
What is the InChIKey of 5-[5-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1,2,4-oxadiazol-3-yl]quinolin-3-ol?
The InChIKey is CMZWTLUPDLDEHL-AATRIKPKSA-N. The full InChI is InChI=1S/C19H14N4O2/c1-12-7-8-20-10-13(12)5-6-18-22-19(23-25-18)15-3-2-4-17-16(15)9-14(24)11-21-17/h2-11,24H,1H3/b6-5+.
What are the key properties of 5-[5-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1,2,4-oxadiazol-3-yl]quinolin-3-ol?
5-[5-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1,2,4-oxadiazol-3-yl]quinolin-3-ol has a molecular weight of 330.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1,2,4-oxadiazol-3-yl]quinolin-3-ol is sourced from PubChem (CID 167945986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).