6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-methylpyridine-3-carboxylic acid;methyl 6-fluoro-5-methylpyridine-3-carboxylate

C59H49Cl4FN6O10 — CID 159582300

About 6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-methylpyridine-3-carboxylic acid;methyl 6-fluoro-5-methylpyridine-3-carboxylate

6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-methylpyridine-3-carboxylic acid;methyl 6-fluoro-5-methylpyridine-3-carboxylate (PubChem CID 159582300) has the molecular formula C59H49Cl4FN6O10 and a molecular weight of 1162.88 g/mol. Its IUPAC name is 6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-methylpyridine-3-carboxylic acid;methyl 6-fluoro-5-methylpyridine-3-carboxylate.

Molecular Properties

• Compound Name: 6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-methylpyridine-3-carboxylic acid;methyl 6-fluoro-5-methylpyridine-3-carboxylate
• PubChem CID: 159582300
• Molecular Formula: C59H49Cl4FN6O10
• Molecular Weight: 1162.88 g/mol
• Exact Mass: 1160.22
• IUPAC Name: 6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-methylpyridine-3-carboxylic acid;methyl 6-fluoro-5-methylpyridine-3-carboxylate
• SMILES: COC(=O)c1cnc(F)c(C)c1.Cc1cc(C(=O)O)cnc1N1C(=O)CCc2cc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)ccc21.O=C1CCc2cc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)ccc2N1
• InChI: InChI=1S/C29H23Cl2N3O5.C22H18Cl2N2O3.C8H8FNO2/c1-15-11-18(29(36)37)13-32-28(15)34-23-9-8-19(12-17(23)7-10-24(34)35)38-14-20-26(33-39-27(20)16-5-6-16)25-21(30)3-2-4-22(25)31;23-16-2-1-3-17(24)20(16)21-15(22(29-26-21)12-4-5-12)11-28-14-7-8-18-13(10-14)6-9-19(27)25-18;1-5-3-6(8(11)12-2)4-10-7(5)9/h2-4,8-9,11-13,16H,5-7,10,14H2,1H3,(H,36,37);1-3,7-8,10,12H,4-6,9,11H2,(H,25,27);3-4H,1-2H3
• InChIKey: MJEFILSTYXRNBE-UHFFFAOYSA-N
• XLogP: 14.42
• TPSA: 209.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1162.88
LogP ≤ 5	14.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-methylpyridine-3-carboxylic acid;methyl 6-fluoro-5-methylpyridine-3-carboxylate?

The IUPAC name of 6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-methylpyridine-3-carboxylic acid;methyl 6-fluoro-5-methylpyridine-3-carboxylate (CID 159582300) is 6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-methylpyridine-3-carboxylic acid;methyl 6-fluoro-5-methylpyridine-3-carboxylate.

What is the SMILES notation for 6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-methylpyridine-3-carboxylic acid;methyl 6-fluoro-5-methylpyridine-3-carboxylate?

The canonical SMILES for 6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-methylpyridine-3-carboxylic acid;methyl 6-fluoro-5-methylpyridine-3-carboxylate is COC(=O)c1cnc(F)c(C)c1.Cc1cc(C(=O)O)cnc1N1C(=O)CCc2cc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)ccc21.O=C1CCc2cc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)ccc2N1.

What is the InChIKey of 6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-methylpyridine-3-carboxylic acid;methyl 6-fluoro-5-methylpyridine-3-carboxylate?

The InChIKey is MJEFILSTYXRNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23Cl2N3O5.C22H18Cl2N2O3.C8H8FNO2/c1-15-11-18(29(36)37)13-32-28(15)34-23-9-8-19(12-17(23)7-10-24(34)35)38-14-20-26(33-39-27(20)16-5-6-16)25-21(30)3-2-4-22(25)31;23-16-2-1-3-17(24)20(16)21-15(22(29-26-21)12-4-5-12)11-28-14-7-8-18-13(10-14)6-9-19(27)25-18;1-5-3-6(8(11)12-2)4-10-7(5)9/h2-4,8-9,11-13,16H,5-7,10,14H2,1H3,(H,36,37);1-3,7-8,10,12H,4-6,9,11H2,(H,25,27);3-4H,1-2H3.

What are the key properties of 6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-methylpyridine-3-carboxylic acid;methyl 6-fluoro-5-methylpyridine-3-carboxylate?

6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-methylpyridine-3-carboxylic acid;methyl 6-fluoro-5-methylpyridine-3-carboxylate has a molecular weight of 1162.88 g/mol, XLogP of 14.42, 13 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-methylpyridine-3-carboxylic acid;methyl 6-fluoro-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 159582300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).