1-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one

C19H16N4O2 — CID 53087001

IUPAC1-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one
SMILESCCCn1cc(-c2nc(-c3ccccn3)no2)c(=O)c2ccccc21
InChIInChI=1S/C19H16N4O2/c1-2-11-23-12-14(17(24)13-7-3-4-9-16(13)23)19-21-18(22-25-19)15-8-5-6-10-20-15/h3-10,12H,2,11H2,1H3
InChIKeyIPTVFGHPSYRAOF-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.52
Rot. Bonds4

About 1-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one

1-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one (PubChem CID 53087001) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one.

Molecular Properties

Compound Name1-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one
PubChem CID53087001
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name1-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one
SMILESCCCn1cc(-c2nc(-c3ccccn3)no2)c(=O)c2ccccc21
InChIInChI=1S/C19H16N4O2/c1-2-11-23-12-14(17(24)13-7-3-4-9-16(13)23)19-21-18(22-25-19)15-8-5-6-10-20-15/h3-10,12H,2,11H2,1H3
InChIKeyIPTVFGHPSYRAOF-UHFFFAOYSA-N
XLogP3.52
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one?
The IUPAC name of 1-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one (CID 53087001) is 1-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one.
What is the SMILES notation for 1-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one?
The canonical SMILES for 1-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one is CCCn1cc(-c2nc(-c3ccccn3)no2)c(=O)c2ccccc21.
What is the InChIKey of 1-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one?
The InChIKey is IPTVFGHPSYRAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-2-11-23-12-14(17(24)13-7-3-4-9-16(13)23)19-21-18(22-25-19)15-8-5-6-10-20-15/h3-10,12H,2,11H2,1H3.
What are the key properties of 1-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one?
1-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one has a molecular weight of 332.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one is sourced from PubChem (CID 53087001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).