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

C18H12ClN3O2 — CID 943820

IUPAC3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(-c3noc(-c4ccc(Cl)cc4)n3)cc2c1
InChIInChI=1S/C18H12ClN3O2/c1-10-2-7-15-12(8-10)9-14(17(23)20-15)16-21-18(24-22-16)11-3-5-13(19)6-4-11/h2-9H,1H3,(H,20,23)
InChIKeyYLCHLDMOQYKUBB-UHFFFAOYSA-N
MW337.77 g/mol
LogP4.21
Rot. Bonds2

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

3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-quinolin-2-one (PubChem CID 943820) has the molecular formula C18H12ClN3O2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-quinolin-2-one
PubChem CID943820
Molecular FormulaC18H12ClN3O2
Molecular Weight337.77 g/mol
Exact Mass337.06
IUPAC Name3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(-c3noc(-c4ccc(Cl)cc4)n3)cc2c1
InChIInChI=1S/C18H12ClN3O2/c1-10-2-7-15-12(8-10)9-14(17(23)20-15)16-21-18(24-22-16)11-3-5-13(19)6-4-11/h2-9H,1H3,(H,20,23)
InChIKeyYLCHLDMOQYKUBB-UHFFFAOYSA-N
XLogP4.21
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one
CID 166443744
3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one
CID 945708
6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one
CID 939351
5-(4-chlorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 110619595
N-(3,5-dimethylphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide
CID 135896856
4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide
CID 135896861
4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)butanamide
CID 135896850
N-(4-methoxyphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide
CID 135896838
6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-pyridin-4-yl-1H-pyridin-2-one
CID 136962131
3-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 135970417
3-(5,6-dibromo-1H-benzimidazol-2-yl)-6-methyl-1H-quinolin-2-one
CID 166438711
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-quinolin-2-one (CID 943820) is 3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(-c3noc(-c4ccc(Cl)cc4)n3)cc2c1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-quinolin-2-one?
The InChIKey is YLCHLDMOQYKUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2/c1-10-2-7-15-12(8-10)9-14(17(23)20-15)16-21-18(24-22-16)11-3-5-13(19)6-4-11/h2-9H,1H3,(H,20,23).
What are the key properties of 3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-quinolin-2-one?
3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-quinolin-2-one has a molecular weight of 337.77 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 943820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).