1-(4-ethylphenyl)-4-(5-quinolin-6-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one

C23H20N4O2 — CID 91916863

IUPAC1-(4-ethylphenyl)-4-(5-quinolin-6-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
SMILESCCc1ccc(N2CC(c3noc(-c4ccc5ncccc5c4)n3)CC2=O)cc1
InChIInChI=1S/C23H20N4O2/c1-2-15-5-8-19(9-6-15)27-14-18(13-21(27)28)22-25-23(29-26-22)17-7-10-20-16(12-17)4-3-11-24-20/h3-12,18H,2,13-14H2,1H3
InChIKeyHMRCSLZZMATNAG-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.37
Rot. Bonds4

About 1-(4-ethylphenyl)-4-(5-quinolin-6-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one

1-(4-ethylphenyl)-4-(5-quinolin-6-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one (PubChem CID 91916863) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-(5-quinolin-6-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-(5-quinolin-6-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
PubChem CID91916863
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name1-(4-ethylphenyl)-4-(5-quinolin-6-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
SMILESCCc1ccc(N2CC(c3noc(-c4ccc5ncccc5c4)n3)CC2=O)cc1
InChIInChI=1S/C23H20N4O2/c1-2-15-5-8-19(9-6-15)27-14-18(13-21(27)28)22-25-23(29-26-22)17-7-10-20-16(12-17)4-3-11-24-20/h3-12,18H,2,13-14H2,1H3
InChIKeyHMRCSLZZMATNAG-UHFFFAOYSA-N
XLogP4.37
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-(5-quinolin-6-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 1-(4-ethylphenyl)-4-(5-quinolin-6-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one (CID 91916863) is 1-(4-ethylphenyl)-4-(5-quinolin-6-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-ethylphenyl)-4-(5-quinolin-6-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-ethylphenyl)-4-(5-quinolin-6-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one is CCc1ccc(N2CC(c3noc(-c4ccc5ncccc5c4)n3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-(5-quinolin-6-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one?
The InChIKey is HMRCSLZZMATNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-2-15-5-8-19(9-6-15)27-14-18(13-21(27)28)22-25-23(29-26-22)17-7-10-20-16(12-17)4-3-11-24-20/h3-12,18H,2,13-14H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-4-(5-quinolin-6-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one?
1-(4-ethylphenyl)-4-(5-quinolin-6-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one has a molecular weight of 384.44 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-(5-quinolin-6-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 91916863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).