7-[bromo(difluoro)methoxy]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one

C62H49BrF5N9O9 — CID 162087928

IUPAC7-[bromo(difluoro)methoxy]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one
SMILESCc1noc(C)c1-c1cc2ccc(=O)n(Cc3ccccn3)c2cc1O.Cc1noc(C)c1-c1cc2ccc(=O)n(Cc3ccccn3)c2cc1OC(F)(F)Br.Cc1noc(C)c1-c1cc2ccc(=O)n(Cc3ccccn3)c2cc1OC(F)(F)F
InChIInChI=1S/C21H16BrF2N3O3.C21H16F3N3O3.C20H17N3O3/c2*1-12-20(13(2)30-26-12)16-9-14-6-7-19(28)27(11-15-5-3-4-8-25-15)17(14)10-18(16)29-21(22,23)24;1-12-20(13(2)26-22-12)16-9-14-6-7-19(25)23(17(14)10-18(16)24)11-15-5-3-4-8-21-15/h2*3-10H,11H2,1-2H3;3-10,24H,11H2,1-2H3
InChIKeyZDFGCHRSMUDVRC-UHFFFAOYSA-N
MW1239.02 g/mol
LogP13.08
Rot. Bonds12

About 7-[bromo(difluoro)methoxy]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one

7-[bromo(difluoro)methoxy]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one (PubChem CID 162087928) has the molecular formula C62H49BrF5N9O9 and a molecular weight of 1239.02 g/mol. Its IUPAC name is 7-[bromo(difluoro)methoxy]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one.

Molecular Properties

Compound Name7-[bromo(difluoro)methoxy]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one
PubChem CID162087928
Molecular FormulaC62H49BrF5N9O9
Molecular Weight1239.02 g/mol
Exact Mass1237.28
IUPAC Name7-[bromo(difluoro)methoxy]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one
SMILESCc1noc(C)c1-c1cc2ccc(=O)n(Cc3ccccn3)c2cc1O.Cc1noc(C)c1-c1cc2ccc(=O)n(Cc3ccccn3)c2cc1OC(F)(F)Br.Cc1noc(C)c1-c1cc2ccc(=O)n(Cc3ccccn3)c2cc1OC(F)(F)F
InChIInChI=1S/C21H16BrF2N3O3.C21H16F3N3O3.C20H17N3O3/c2*1-12-20(13(2)30-26-12)16-9-14-6-7-19(28)27(11-15-5-3-4-8-25-15)17(14)10-18(16)29-21(22,23)24;1-12-20(13(2)26-22-12)16-9-14-6-7-19(25)23(17(14)10-18(16)24)11-15-5-3-4-8-21-15/h2*3-10H,11H2,1-2H3;3-10,24H,11H2,1-2H3
InChIKeyZDFGCHRSMUDVRC-UHFFFAOYSA-N
XLogP13.08
TPSA221.45 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001239.02
LogP ≤ 513.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 7-[bromo(difluoro)methoxy]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

Odm-207
CID 118224658
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-3-(fluoromethyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 118224616
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoro-1-hydroxyethyl)quinolin-2-one
CID 118224629
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-4-(trifluoromethyl)quinolin-2-one
CID 118224644
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[(5-fluoro-2-pyridinyl)methyl]-7-methoxyquinolin-2-one
CID 118224690
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one
CID 118224696
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(trifluoromethyl)pyridin-2-yl]methyl]quinolin-2-one
CID 118224751
7-[Bromo(difluoro)methoxy]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 118224757
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(2,2,2-trifluoroethoxy)quinolin-2-one
CID 124137092
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoro-1,1-dihydroxyethyl)quinolin-2-one
CID 124137628
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[(3-fluoro-2-pyridinyl)methyl]-7-methoxyquinolin-2-one
CID 124144819
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-[2,2,2-trifluoro-1-(2-methylpropoxy)ethyl]quinolin-2-one
CID 124172644

Frequently Asked Questions

What is the IUPAC name of 7-[bromo(difluoro)methoxy]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one?
The IUPAC name of 7-[bromo(difluoro)methoxy]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one (CID 162087928) is 7-[bromo(difluoro)methoxy]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one.
What is the SMILES notation for 7-[bromo(difluoro)methoxy]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one?
The canonical SMILES for 7-[bromo(difluoro)methoxy]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one is Cc1noc(C)c1-c1cc2ccc(=O)n(Cc3ccccn3)c2cc1O.Cc1noc(C)c1-c1cc2ccc(=O)n(Cc3ccccn3)c2cc1OC(F)(F)Br.Cc1noc(C)c1-c1cc2ccc(=O)n(Cc3ccccn3)c2cc1OC(F)(F)F.
What is the InChIKey of 7-[bromo(difluoro)methoxy]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one?
The InChIKey is ZDFGCHRSMUDVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrF2N3O3.C21H16F3N3O3.C20H17N3O3/c2*1-12-20(13(2)30-26-12)16-9-14-6-7-19(28)27(11-15-5-3-4-8-25-15)17(14)10-18(16)29-21(22,23)24;1-12-20(13(2)26-22-12)16-9-14-6-7-19(25)23(17(14)10-18(16)24)11-15-5-3-4-8-21-15/h2*3-10H,11H2,1-2H3;3-10,24H,11H2,1-2H3.
What are the key properties of 7-[bromo(difluoro)methoxy]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one?
7-[bromo(difluoro)methoxy]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one has a molecular weight of 1239.02 g/mol, XLogP of 13.08, 12 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[bromo(difluoro)methoxy]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one is sourced from PubChem (CID 162087928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).