3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2,6-dimethyl-4-pyridinyl)amino]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;2,6-dimethylpyridin-4-amine

C56H55BrN10O6 — CID 161102946

About 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2,6-dimethyl-4-pyridinyl)amino]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;2,6-dimethylpyridin-4-amine

3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2,6-dimethyl-4-pyridinyl)amino]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;2,6-dimethylpyridin-4-amine (PubChem CID 161102946) has the molecular formula C56H55BrN10O6 and a molecular weight of 1044.02 g/mol. Its IUPAC name is 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2,6-dimethyl-4-pyridinyl)amino]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;2,6-dimethylpyridin-4-amine.

Molecular Properties

• Compound Name: 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2,6-dimethyl-4-pyridinyl)amino]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;2,6-dimethylpyridin-4-amine
• PubChem CID: 161102946
• Molecular Formula: C56H55BrN10O6
• Molecular Weight: 1044.02 g/mol
• Exact Mass: 1042.35
• IUPAC Name: 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2,6-dimethyl-4-pyridinyl)amino]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;2,6-dimethylpyridin-4-amine
• SMILES: COc1cc2c(cc1-c1c(C)noc1C)cc(Br)c(=O)n2Cc1ccccn1.COc1cc2c(cc1-c1c(C)noc1C)cc(Nc1cc(C)nc(C)c1)c(=O)n2Cc1ccccn1.Cc1cc(N)cc(C)n1
• InChI: InChI=1S/C28H27N5O3.C21H18BrN3O3.C7H10N2/c1-16-10-22(11-17(2)30-16)31-24-13-20-12-23(27-18(3)32-36-19(27)4)26(35-5)14-25(20)33(28(24)34)15-21-8-6-7-9-29-21;1-12-20(13(2)28-24-12)16-8-14-9-17(22)21(26)25(18(14)10-19(16)27-3)11-15-6-4-5-7-23-15;1-5-3-7(8)4-6(2)9-5/h6-14H,15H2,1-5H3,(H,30,31);4-10H,11H2,1-3H3;3-4H,1-2H3,(H2,8,9)
• InChIKey: UIRAFQYRJJAKKN-UHFFFAOYSA-N
• XLogP: 11.25
• TPSA: 204.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1044.02
LogP ≤ 5	11.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2,6-dimethyl-4-pyridinyl)amino]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;2,6-dimethylpyridin-4-amine?

The IUPAC name of 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2,6-dimethyl-4-pyridinyl)amino]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;2,6-dimethylpyridin-4-amine (CID 161102946) is 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2,6-dimethyl-4-pyridinyl)amino]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;2,6-dimethylpyridin-4-amine.

What is the SMILES notation for 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2,6-dimethyl-4-pyridinyl)amino]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;2,6-dimethylpyridin-4-amine?

The canonical SMILES for 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2,6-dimethyl-4-pyridinyl)amino]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;2,6-dimethylpyridin-4-amine is COc1cc2c(cc1-c1c(C)noc1C)cc(Br)c(=O)n2Cc1ccccn1.COc1cc2c(cc1-c1c(C)noc1C)cc(Nc1cc(C)nc(C)c1)c(=O)n2Cc1ccccn1.Cc1cc(N)cc(C)n1.

What is the InChIKey of 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2,6-dimethyl-4-pyridinyl)amino]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;2,6-dimethylpyridin-4-amine?

The InChIKey is UIRAFQYRJJAKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3.C21H18BrN3O3.C7H10N2/c1-16-10-22(11-17(2)30-16)31-24-13-20-12-23(27-18(3)32-36-19(27)4)26(35-5)14-25(20)33(28(24)34)15-21-8-6-7-9-29-21;1-12-20(13(2)28-24-12)16-8-14-9-17(22)21(26)25(18(14)10-19(16)27-3)11-15-6-4-5-7-23-15;1-5-3-7(8)4-6(2)9-5/h6-14H,15H2,1-5H3,(H,30,31);4-10H,11H2,1-3H3;3-4H,1-2H3,(H2,8,9).

What are the key properties of 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2,6-dimethyl-4-pyridinyl)amino]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;2,6-dimethylpyridin-4-amine?

3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2,6-dimethyl-4-pyridinyl)amino]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;2,6-dimethylpyridin-4-amine has a molecular weight of 1044.02 g/mol, XLogP of 11.25, 10 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2,6-dimethyl-4-pyridinyl)amino]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;2,6-dimethylpyridin-4-amine is sourced from PubChem (CID 161102946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).