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

C19H19ClN2O2 — CID 135442635

IUPAC6-chloro-4-cyclohexyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
SMILESCc1cc(-c2c(C3CCCCC3)c3cc(Cl)ccc3[nH]c2=O)on1
InChIInChI=1S/C19H19ClN2O2/c1-11-9-16(24-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20)7-8-15(14)21-19(18)23/h7-10,12H,2-6H2,1H3,(H,21,23)
InChIKeyTVDGQKBHLVGURJ-UHFFFAOYSA-N
MW342.83 g/mol
LogP5.19
Rot. Bonds2

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

6-chloro-4-cyclohexyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one (PubChem CID 135442635) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 6-chloro-4-cyclohexyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-cyclohexyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
PubChem CID135442635
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name6-chloro-4-cyclohexyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
SMILESCc1cc(-c2c(C3CCCCC3)c3cc(Cl)ccc3[nH]c2=O)on1
InChIInChI=1S/C19H19ClN2O2/c1-11-9-16(24-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20)7-8-15(14)21-19(18)23/h7-10,12H,2-6H2,1H3,(H,21,23)
InChIKeyTVDGQKBHLVGURJ-UHFFFAOYSA-N
XLogP5.19
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.83
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-cyclohexyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-cyclohexyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one (CID 135442635) is 6-chloro-4-cyclohexyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-cyclohexyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-cyclohexyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one is Cc1cc(-c2c(C3CCCCC3)c3cc(Cl)ccc3[nH]c2=O)on1.
What is the InChIKey of 6-chloro-4-cyclohexyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one?
The InChIKey is TVDGQKBHLVGURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-11-9-16(24-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20)7-8-15(14)21-19(18)23/h7-10,12H,2-6H2,1H3,(H,21,23).
What are the key properties of 6-chloro-4-cyclohexyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one?
6-chloro-4-cyclohexyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one has a molecular weight of 342.83 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-cyclohexyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one is sourced from PubChem (CID 135442635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).