1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one;pyrrolidin-3-ol

C50H53BrN8O8 — CID 159182129

About 1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one;pyrrolidin-3-ol

1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one;pyrrolidin-3-ol (PubChem CID 159182129) has the molecular formula C50H53BrN8O8 and a molecular weight of 973.93 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;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one;pyrrolidin-3-ol.

Molecular Properties

• Compound Name: 1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one;pyrrolidin-3-ol
• PubChem CID: 159182129
• Molecular Formula: C50H53BrN8O8
• Molecular Weight: 973.93 g/mol
• Exact Mass: 972.32
• IUPAC Name: 1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one;pyrrolidin-3-ol
• SMILES: COc1cc2c(ccc(=O)n2Cc2ccc(Br)cn2)cc1-c1c(C)noc1C.COc1cc2c(ccc(=O)n2Cc2ccc(N3CCC(O)C3)cn2)cc1-c1c(C)noc1C.OC1CCNC1
• InChI: InChI=1S/C25H26N4O4.C21H18BrN3O3.C4H9NO/c1-15-25(16(2)33-27-15)21-10-17-4-7-24(31)29(22(17)11-23(21)32-3)13-18-5-6-19(12-26-18)28-9-8-20(30)14-28;1-12-21(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;6-4-1-2-5-3-4/h4-7,10-12,20,30H,8-9,13-14H2,1-3H3;4-10H,11H2,1-3H3;4-6H,1-3H2
• InChIKey: KNAMPVWYCFLJQT-UHFFFAOYSA-N
• XLogP: 7.12
• TPSA: 196.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	973.93
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

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;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one;pyrrolidin-3-ol?

The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one;pyrrolidin-3-ol (CID 159182129) is 1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one;pyrrolidin-3-ol.

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;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one;pyrrolidin-3-ol?

The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one;pyrrolidin-3-ol is COc1cc2c(ccc(=O)n2Cc2ccc(Br)cn2)cc1-c1c(C)noc1C.COc1cc2c(ccc(=O)n2Cc2ccc(N3CCC(O)C3)cn2)cc1-c1c(C)noc1C.OC1CCNC1.

What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one;pyrrolidin-3-ol?

The InChIKey is KNAMPVWYCFLJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4.C21H18BrN3O3.C4H9NO/c1-15-25(16(2)33-27-15)21-10-17-4-7-24(31)29(22(17)11-23(21)32-3)13-18-5-6-19(12-26-18)28-9-8-20(30)14-28;1-12-21(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;6-4-1-2-5-3-4/h4-7,10-12,20,30H,8-9,13-14H2,1-3H3;4-10H,11H2,1-3H3;4-6H,1-3H2.

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;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one;pyrrolidin-3-ol?

1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one;pyrrolidin-3-ol has a molecular weight of 973.93 g/mol, XLogP of 7.12, 9 rotatable bonds, 3 hydrogen bond donors, and 16 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;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one;pyrrolidin-3-ol is sourced from PubChem (CID 159182129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).