6-chloro-4-phenyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)-1H-quinolin-2-one

C21H17ClN2O2 — CID 135499847

IUPAC6-chloro-4-phenyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)-1H-quinolin-2-one
SMILESCC(C)c1cc(-c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)on1
InChIInChI=1S/C21H17ClN2O2/c1-12(2)17-11-18(26-24-17)20-19(13-6-4-3-5-7-13)15-10-14(22)8-9-16(15)23-21(20)25/h3-12H,1-2H3,(H,23,25)
InChIKeyQHSOJXVJMDTXSK-UHFFFAOYSA-N
MW364.83 g/mol
LogP5.63
Rot. Bonds3

About 6-chloro-4-phenyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)-1H-quinolin-2-one

6-chloro-4-phenyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)-1H-quinolin-2-one (PubChem CID 135499847) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 6-chloro-4-phenyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-phenyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)-1H-quinolin-2-one
PubChem CID135499847
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name6-chloro-4-phenyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)-1H-quinolin-2-one
SMILESCC(C)c1cc(-c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)on1
InChIInChI=1S/C21H17ClN2O2/c1-12(2)17-11-18(26-24-17)20-19(13-6-4-3-5-7-13)15-10-14(22)8-9-16(15)23-21(20)25/h3-12H,1-2H3,(H,23,25)
InChIKeyQHSOJXVJMDTXSK-UHFFFAOYSA-N
XLogP5.63
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.83
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Avl-3288
CID 16005981
6-Chloro-3-(3-methylisoxazol-5-YL)-4-phenylquinolin-2(1H)-one
CID 135457822
3-(2-chlorophenyl)-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1221269
3-(2-chloro-6-fluorophenyl)-N-(2-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1343287
3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 1241573
N-(2-carbamoylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 987751
N-(5-chloro-2-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1015763
3-(2-chloro-6-fluorophenyl)-N-(2-fluoro-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1868174
N-(2,6-Diisopropyl-phenyl)-2-(3-dodecyl-isoxazol-5-yl)-2-phenyl-acetamide
CID 10554232
3-(2,6-Dichloro-phenyl)-5-isopropyl-isoxazole-4-carboxylic acid (4-diethylamino-phenyl)-amide
CID 11539588
Ccmi
CID 17757386
N-(2,4-Difluoro-phenyl)-2-(3-dodecyl-isoxazol-5-yl)-2-phenyl-acetamide
CID 18955387

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-phenyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)-1H-quinolin-2-one (CID 135499847) is 6-chloro-4-phenyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-phenyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-phenyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)-1H-quinolin-2-one is CC(C)c1cc(-c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)on1.
What is the InChIKey of 6-chloro-4-phenyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)-1H-quinolin-2-one?
The InChIKey is QHSOJXVJMDTXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c1-12(2)17-11-18(26-24-17)20-19(13-6-4-3-5-7-13)15-10-14(22)8-9-16(15)23-21(20)25/h3-12H,1-2H3,(H,23,25).
What are the key properties of 6-chloro-4-phenyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)-1H-quinolin-2-one?
6-chloro-4-phenyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)-1H-quinolin-2-one has a molecular weight of 364.83 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)-1H-quinolin-2-one is sourced from PubChem (CID 135499847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).