1-[(2R)-2-(2-chlorophenyl)-5-(2-cyclopropylquinolin-4-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone

C22H18ClN3O2 — CID 92751895

IUPAC1-[(2R)-2-(2-chlorophenyl)-5-(2-cyclopropylquinolin-4-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2cc(C3CC3)nc3ccccc23)O[C@@H]1c1ccccc1Cl
InChIInChI=1S/C22H18ClN3O2/c1-13(27)26-22(16-7-2-4-8-18(16)23)28-21(25-26)17-12-20(14-10-11-14)24-19-9-5-3-6-15(17)19/h2-9,12,14,22H,10-11H2,1H3/t22-/m1/s1
InChIKeyQMUUURYZWYAEDQ-JOCHJYFZSA-N
MW391.86 g/mol
LogP5.00
Rot. Bonds3

About 1-[(2R)-2-(2-chlorophenyl)-5-(2-cyclopropylquinolin-4-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone

1-[(2R)-2-(2-chlorophenyl)-5-(2-cyclopropylquinolin-4-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 92751895) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is 1-[(2R)-2-(2-chlorophenyl)-5-(2-cyclopropylquinolin-4-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(2-chlorophenyl)-5-(2-cyclopropylquinolin-4-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID92751895
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC Name1-[(2R)-2-(2-chlorophenyl)-5-(2-cyclopropylquinolin-4-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2cc(C3CC3)nc3ccccc23)O[C@@H]1c1ccccc1Cl
InChIInChI=1S/C22H18ClN3O2/c1-13(27)26-22(16-7-2-4-8-18(16)23)28-21(25-26)17-12-20(14-10-11-14)24-19-9-5-3-6-15(17)19/h2-9,12,14,22H,10-11H2,1H3/t22-/m1/s1
InChIKeyQMUUURYZWYAEDQ-JOCHJYFZSA-N
XLogP5.00
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.86
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-(2-chlorophenyl)-5-(2-cyclopropylquinolin-4-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone with MolForge

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Related Compounds

1-[(2S)-5-(2-cyclopropylquinolin-4-yl)-2-(3-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 92751901
[1-[(2S)-3-acetyl-2-(2-chlorophenyl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate
CID 92712995
1-[(2S)-2-(2-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 985876
1-[(2S)-2-(3-phenoxyphenyl)-5-(2-phenylquinolin-4-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 95063921
1-[2-(2-phenylquinolin-4-yl)-5-(2,3,4-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 22577280
[4-[(2S)-3-acetyl-5-(2-phenylquinolin-4-yl)-2H-1,3,4-oxadiazol-2-yl]-2-methoxyphenyl] acetate
CID 92751883
4-chloro-2-cyclopropylquinoline
CID 63357870
[2-[(2S)-3-acetyl-5-(2,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 95074448
[4-[(2S)-3-acetyl-5-(2-phenylquinolin-4-yl)-2H-1,3,4-oxadiazol-2-yl]-2-bromo-6-methoxyphenyl] acetate
CID 98334473
1-[(2R)-5-(3-bromophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 92707049
[2-[(2R)-3-acetyl-2-(2-methylquinolin-4-yl)-2H-1,3,4-oxadiazol-5-yl]-6-methoxy-4-nitrophenyl] acetate
CID 98334712
1-[(2S)-5-naphthalen-1-yl-2-[2-(naphthalen-1-ylmethoxy)phenyl]-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 26984745

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-chlorophenyl)-5-(2-cyclopropylquinolin-4-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(2-chlorophenyl)-5-(2-cyclopropylquinolin-4-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 92751895) is 1-[(2R)-2-(2-chlorophenyl)-5-(2-cyclopropylquinolin-4-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(2-chlorophenyl)-5-(2-cyclopropylquinolin-4-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(2-chlorophenyl)-5-(2-cyclopropylquinolin-4-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2cc(C3CC3)nc3ccccc23)O[C@@H]1c1ccccc1Cl.
What is the InChIKey of 1-[(2R)-2-(2-chlorophenyl)-5-(2-cyclopropylquinolin-4-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is QMUUURYZWYAEDQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c1-13(27)26-22(16-7-2-4-8-18(16)23)28-21(25-26)17-12-20(14-10-11-14)24-19-9-5-3-6-15(17)19/h2-9,12,14,22H,10-11H2,1H3/t22-/m1/s1.
What are the key properties of 1-[(2R)-2-(2-chlorophenyl)-5-(2-cyclopropylquinolin-4-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[(2R)-2-(2-chlorophenyl)-5-(2-cyclopropylquinolin-4-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 391.86 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-chlorophenyl)-5-(2-cyclopropylquinolin-4-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 92751895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).