1-(3-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one

C21H15ClN4O2 — CID 70664219

IUPAC1-(3-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)ncc1[nH]c(=O)n(-c3cccc(Cl)c3)c12
InChIInChI=1S/C21H15ClN4O2/c1-11-19(12(2)28-25-11)13-6-7-16-17(8-13)23-10-18-20(16)26(21(27)24-18)15-5-3-4-14(22)9-15/h3-10H,1-2H3,(H,24,27)
InChIKeyFIHYBTJOFHCYLJ-UHFFFAOYSA-N
MW390.83 g/mol
LogP4.79
Rot. Bonds2

About 1-(3-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one

1-(3-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 70664219) has the molecular formula C21H15ClN4O2 and a molecular weight of 390.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID70664219
Molecular FormulaC21H15ClN4O2
Molecular Weight390.83 g/mol
Exact Mass390.09
IUPAC Name1-(3-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)ncc1[nH]c(=O)n(-c3cccc(Cl)c3)c12
InChIInChI=1S/C21H15ClN4O2/c1-11-19(12(2)28-25-11)13-6-7-16-17(8-13)23-10-18-20(16)26(21(27)24-18)15-5-3-4-14(22)9-15/h3-10H,1-2H3,(H,24,27)
InChIKeyFIHYBTJOFHCYLJ-UHFFFAOYSA-N
XLogP4.79
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylphenyl)-3H-imidazo[4,5-c]quinolin-2-one
CID 52933810
4-(1-benzyltriazolo[4,5-c]quinolin-7-yl)-3,5-dimethyl-1,2-oxazole
CID 70664302
3-[8-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 134438330
7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-one
CID 121424059
4-[1-(2-fluorophenyl)-2-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 70664142
methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3H-benzimidazol-1-yl]benzoate
CID 167061903
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-pyridin-2-ylethyl)-3H-imidazo[4,5-c]quinolin-2-one
CID 52934274
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-pyridin-2-ylethyl)-3H-imidazo[4,5-c]quinolin-2-one;dihydrochloride
CID 154701303
8-phenyl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 127047610
3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one
CID 110491173
3-(3-chlorophenyl)-5-methyl-1H-benzimidazol-2-one
CID 117208339
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one
CID 135755223

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one (CID 70664219) is 1-(3-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one is Cc1noc(C)c1-c1ccc2c(c1)ncc1[nH]c(=O)n(-c3cccc(Cl)c3)c12.
What is the InChIKey of 1-(3-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is FIHYBTJOFHCYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O2/c1-11-19(12(2)28-25-11)13-6-7-16-17(8-13)23-10-18-20(16)26(21(27)24-18)15-5-3-4-14(22)9-15/h3-10H,1-2H3,(H,24,27).
What are the key properties of 1-(3-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?
1-(3-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 390.83 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 70664219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).