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

C15H15N3O2 — CID 942348

IUPAC6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(-c3noc(C(C)C)n3)cc2c1
InChIInChI=1S/C15H15N3O2/c1-8(2)15-17-13(18-20-15)11-7-10-6-9(3)4-5-12(10)16-14(11)19/h4-8H,1-3H3,(H,16,19)
InChIKeyYOBMVDVCDIJCFA-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.01
Rot. Bonds2

About 6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one

6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one (PubChem CID 942348) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one
PubChem CID942348
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(-c3noc(C(C)C)n3)cc2c1
InChIInChI=1S/C15H15N3O2/c1-8(2)15-17-13(18-20-15)11-7-10-6-9(3)4-5-12(10)16-14(11)19/h4-8H,1-3H3,(H,16,19)
InChIKeyYOBMVDVCDIJCFA-UHFFFAOYSA-N
XLogP3.01
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one?
The IUPAC name of 6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one (CID 942348) is 6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(-c3noc(C(C)C)n3)cc2c1.
What is the InChIKey of 6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one?
The InChIKey is YOBMVDVCDIJCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-8(2)15-17-13(18-20-15)11-7-10-6-9(3)4-5-12(10)16-14(11)19/h4-8H,1-3H3,(H,16,19).
What are the key properties of 6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one?
6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one has a molecular weight of 269.30 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1H-quinolin-2-one is sourced from PubChem (CID 942348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).