3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;3,6-dibromo-7-methoxy-1H-naphthalen-2-one;3,6-dibromo-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;7-methoxy-1H-naphthalen-2-one

C64H54Br4N6O10 — CID 158788621

About 3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;3,6-dibromo-7-methoxy-1H-naphthalen-2-one;3,6-dibromo-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;7-methoxy-1H-naphthalen-2-one

3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;3,6-dibromo-7-methoxy-1H-naphthalen-2-one;3,6-dibromo-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;7-methoxy-1H-naphthalen-2-one (PubChem CID 158788621) has the molecular formula C64H54Br4N6O10 and a molecular weight of 1386.78 g/mol. Its IUPAC name is 3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;3,6-dibromo-7-methoxy-1H-naphthalen-2-one;3,6-dibromo-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;7-methoxy-1H-naphthalen-2-one.

Molecular Properties

• Compound Name: 3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;3,6-dibromo-7-methoxy-1H-naphthalen-2-one;3,6-dibromo-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;7-methoxy-1H-naphthalen-2-one
• PubChem CID: 158788621
• Molecular Formula: C64H54Br4N6O10
• Molecular Weight: 1386.78 g/mol
• Exact Mass: 1382.06
• IUPAC Name: 3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;3,6-dibromo-7-methoxy-1H-naphthalen-2-one;3,6-dibromo-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;7-methoxy-1H-naphthalen-2-one
• SMILES: COc1cc2c(cc1-c1c(C)noc1C)cc(-c1c(C)noc1C)c(=O)n2Cc1ccccn1.COc1cc2c(cc1Br)C=C(Br)C(=O)C2.COc1cc2c(cc1Br)cc(Br)c(=O)n2Cc1ccccn1.COc1ccc2c(c1)CC(=O)C=C2
• InChI: InChI=1S/C26H24N4O4.C16H12Br2N2O2.C11H8Br2O2.C11H10O2/c1-14-24(16(3)33-28-14)20-10-18-11-21(25-15(2)29-34-17(25)4)26(31)30(22(18)12-23(20)32-5)13-19-8-6-7-9-27-19;1-22-15-8-14-10(6-12(15)17)7-13(18)16(21)20(14)9-11-4-2-3-5-19-11;1-15-11-5-7-4-10(14)8(12)2-6(7)3-9(11)13;1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h6-12H,13H2,1-5H3;2-8H,9H2,1H3;2-3,5H,4H2,1H3;2-5,7H,6H2,1H3
• InChIKey: IRZLWUSKDYEGCJ-UHFFFAOYSA-N
• XLogP: 14.13
• TPSA: 192.90 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1386.78
LogP ≤ 5	14.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;3,6-dibromo-7-methoxy-1H-naphthalen-2-one;3,6-dibromo-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;7-methoxy-1H-naphthalen-2-one?

The IUPAC name of 3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;3,6-dibromo-7-methoxy-1H-naphthalen-2-one;3,6-dibromo-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;7-methoxy-1H-naphthalen-2-one (CID 158788621) is 3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;3,6-dibromo-7-methoxy-1H-naphthalen-2-one;3,6-dibromo-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;7-methoxy-1H-naphthalen-2-one.

What is the SMILES notation for 3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;3,6-dibromo-7-methoxy-1H-naphthalen-2-one;3,6-dibromo-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;7-methoxy-1H-naphthalen-2-one?

The canonical SMILES for 3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;3,6-dibromo-7-methoxy-1H-naphthalen-2-one;3,6-dibromo-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;7-methoxy-1H-naphthalen-2-one is COc1cc2c(cc1-c1c(C)noc1C)cc(-c1c(C)noc1C)c(=O)n2Cc1ccccn1.COc1cc2c(cc1Br)C=C(Br)C(=O)C2.COc1cc2c(cc1Br)cc(Br)c(=O)n2Cc1ccccn1.COc1ccc2c(c1)CC(=O)C=C2.

What is the InChIKey of 3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;3,6-dibromo-7-methoxy-1H-naphthalen-2-one;3,6-dibromo-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;7-methoxy-1H-naphthalen-2-one?

The InChIKey is IRZLWUSKDYEGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4.C16H12Br2N2O2.C11H8Br2O2.C11H10O2/c1-14-24(16(3)33-28-14)20-10-18-11-21(25-15(2)29-34-17(25)4)26(31)30(22(18)12-23(20)32-5)13-19-8-6-7-9-27-19;1-22-15-8-14-10(6-12(15)17)7-13(18)16(21)20(14)9-11-4-2-3-5-19-11;1-15-11-5-7-4-10(14)8(12)2-6(7)3-9(11)13;1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h6-12H,13H2,1-5H3;2-8H,9H2,1H3;2-3,5H,4H2,1H3;2-5,7H,6H2,1H3.

What are the key properties of 3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;3,6-dibromo-7-methoxy-1H-naphthalen-2-one;3,6-dibromo-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;7-methoxy-1H-naphthalen-2-one?

3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;3,6-dibromo-7-methoxy-1H-naphthalen-2-one;3,6-dibromo-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;7-methoxy-1H-naphthalen-2-one has a molecular weight of 1386.78 g/mol, XLogP of 14.13, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;3,6-dibromo-7-methoxy-1H-naphthalen-2-one;3,6-dibromo-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;7-methoxy-1H-naphthalen-2-one is sourced from PubChem (CID 158788621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).