4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one

C14H13N3O2 — CID 53331230

IUPAC4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one
SMILESCC(C)c1noc(-c2cc(=O)[nH]c3ccccc23)n1
InChIInChI=1S/C14H13N3O2/c1-8(2)13-16-14(19-17-13)10-7-12(18)15-11-6-4-3-5-9(10)11/h3-8H,1-2H3,(H,15,18)
InChIKeyTYDNUAWWEPGNPR-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.70
Rot. Bonds2

About 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one

4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one (PubChem CID 53331230) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one
PubChem CID53331230
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one
SMILESCC(C)c1noc(-c2cc(=O)[nH]c3ccccc23)n1
InChIInChI=1S/C14H13N3O2/c1-8(2)13-16-14(19-17-13)10-7-12(18)15-11-6-4-3-5-9(10)11/h3-8H,1-2H3,(H,15,18)
InChIKeyTYDNUAWWEPGNPR-UHFFFAOYSA-N
XLogP2.70
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one?
The IUPAC name of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one (CID 53331230) is 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one?
The canonical SMILES for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one is CC(C)c1noc(-c2cc(=O)[nH]c3ccccc23)n1.
What is the InChIKey of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one?
The InChIKey is TYDNUAWWEPGNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-8(2)13-16-14(19-17-13)10-7-12(18)15-11-6-4-3-5-9(10)11/h3-8H,1-2H3,(H,15,18).
What are the key properties of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one?
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one has a molecular weight of 255.28 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one is sourced from PubChem (CID 53331230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).