1-[(5-Bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one

C21H18BrN3O3 — CID 118224679

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one
SMILESCC1=C(C(=NO1)C)C2=C(C=C3C(=C2)C=CC(=O)N3CC4=NC=C(C=C4)Br)OC
InChIInChI=1S/C21H18BrN3O3/c1-12-21(13(2)28-24-12)17-8-14-4-7-20(26)25(18(14)9-19(17)27-3)11-16-6-5-15(22)10-23-16/h4-10H,11H2,1-3H3
InChIKeyGAUJOEUMVMWRHY-UHFFFAOYSA-N
MW440.30 g/mol
LogP3.50
Rot. Bonds4

About 1-[(5-Bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one

1-[(5-Bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one (PubChem CID 118224679) has the molecular formula C21H18BrN3O3 and a molecular weight of 440.30 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one.

Molecular Properties

Compound Name1-[(5-Bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one
PubChem CID118224679
Molecular FormulaC21H18BrN3O3
Molecular Weight440.30 g/mol
Exact Mass439.05
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one
SMILESCC1=C(C(=NO1)C)C2=C(C=C3C(=C2)C=CC(=O)N3CC4=NC=C(C=C4)Br)OC
InChIInChI=1S/C21H18BrN3O3/c1-12-21(13(2)28-24-12)17-8-14-4-7-20(26)25(18(14)9-19(17)27-3)11-16-6-5-15(22)10-23-16/h4-10H,11H2,1-3H3
InChIKeyGAUJOEUMVMWRHY-UHFFFAOYSA-N
XLogP3.50
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity603

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(5-Bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-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 1-[(5-Bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one?
The IUPAC name of 1-[(5-Bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one (CID 118224679) is 1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one.
What is the SMILES notation for 1-[(5-Bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one?
The canonical SMILES for 1-[(5-Bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one is CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)C=CC(=O)N3CC4=NC=C(C=C4)Br)OC.
What is the InChIKey of 1-[(5-Bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one?
The InChIKey is GAUJOEUMVMWRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O3/c1-12-21(13(2)28-24-12)17-8-14-4-7-20(26)25(18(14)9-19(17)27-3)11-16-6-5-15(22)10-23-16/h4-10H,11H2,1-3H3.
What are the key properties of 1-[(5-Bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one?
1-[(5-Bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one has a molecular weight of 440.30 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-Bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one is sourced from PubChem (CID 118224679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).