tert-butyl 6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-fluoropyridine-3-carboxylate;tert-butyl 6-iodopyridine-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-fluoropyridine-3-carboxylic acid

C92H78Cl6F2IN9O15 — CID 159300397

About tert-butyl 6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-fluoropyridine-3-carboxylate;tert-butyl 6-iodopyridine-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-fluoropyridine-3-carboxylic acid

tert-butyl 6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-fluoropyridine-3-carboxylate;tert-butyl 6-iodopyridine-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-fluoropyridine-3-carboxylic acid (PubChem CID 159300397) has the molecular formula C92H78Cl6F2IN9O15 and a molecular weight of 1927.30 g/mol. Its IUPAC name is tert-butyl 6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-fluoropyridine-3-carboxylate;tert-butyl 6-iodopyridine-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-fluoropyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl 6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-fluoropyridine-3-carboxylate;tert-butyl 6-iodopyridine-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-fluoropyridine-3-carboxylic acid
• PubChem CID: 159300397
• Molecular Formula: C92H78Cl6F2IN9O15
• Molecular Weight: 1927.30 g/mol
• Exact Mass: 1923.28
• IUPAC Name: tert-butyl 6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-fluoropyridine-3-carboxylate;tert-butyl 6-iodopyridine-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-fluoropyridine-3-carboxylic acid
• SMILES: CC(C)(C)OC(=O)c1ccc(I)nc1.CC(C)(C)OC(=O)c1cnc(N2C(=O)CCc3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)ccc32)c(F)c1.O=C(O)c1cnc(N2C(=O)CCc3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)ccc32)c(F)c1.O=C1CCc2cc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)ccc2N1
• InChI: InChI=1S/C32H28Cl2FN3O5.C28H20Cl2FN3O5.C22H18Cl2N2O3.C10H12INO2/c1-32(2,3)42-31(40)19-14-24(35)30(36-15-19)38-25-11-10-20(13-18(25)9-12-26(38)39)41-16-21-28(37-43-29(21)17-7-8-17)27-22(33)5-4-6-23(27)34;29-19-2-1-3-20(30)24(19)25-18(26(39-33-25)14-4-5-14)13-38-17-7-8-22-15(10-17)6-9-23(35)34(22)27-21(31)11-16(12-32-27)28(36)37;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;1-10(2,3)14-9(13)7-4-5-8(11)12-6-7/h4-6,10-11,13-15,17H,7-9,12,16H2,1-3H3;1-3,7-8,10-12,14H,4-6,9,13H2,(H,36,37);1-3,7-8,10,12H,4-6,9,11H2,(H,25,27);4-6H,1-3H3
• InChIKey: LBGIKNPXPPOPCH-UHFFFAOYSA-N
• XLogP: 23.78
• TPSA: 304.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1927.30
LogP ≤ 5	23.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-fluoropyridine-3-carboxylate;tert-butyl 6-iodopyridine-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-fluoropyridine-3-carboxylic acid?

The IUPAC name of tert-butyl 6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-fluoropyridine-3-carboxylate;tert-butyl 6-iodopyridine-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-fluoropyridine-3-carboxylic acid (CID 159300397) is tert-butyl 6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-fluoropyridine-3-carboxylate;tert-butyl 6-iodopyridine-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-fluoropyridine-3-carboxylic acid.

What is the SMILES notation for tert-butyl 6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-fluoropyridine-3-carboxylate;tert-butyl 6-iodopyridine-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-fluoropyridine-3-carboxylic acid?

The canonical SMILES for tert-butyl 6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-fluoropyridine-3-carboxylate;tert-butyl 6-iodopyridine-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-fluoropyridine-3-carboxylic acid is CC(C)(C)OC(=O)c1ccc(I)nc1.CC(C)(C)OC(=O)c1cnc(N2C(=O)CCc3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)ccc32)c(F)c1.O=C(O)c1cnc(N2C(=O)CCc3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)ccc32)c(F)c1.O=C1CCc2cc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)ccc2N1.

What is the InChIKey of tert-butyl 6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-fluoropyridine-3-carboxylate;tert-butyl 6-iodopyridine-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-fluoropyridine-3-carboxylic acid?

The InChIKey is LBGIKNPXPPOPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28Cl2FN3O5.C28H20Cl2FN3O5.C22H18Cl2N2O3.C10H12INO2/c1-32(2,3)42-31(40)19-14-24(35)30(36-15-19)38-25-11-10-20(13-18(25)9-12-26(38)39)41-16-21-28(37-43-29(21)17-7-8-17)27-22(33)5-4-6-23(27)34;29-19-2-1-3-20(30)24(19)25-18(26(39-33-25)14-4-5-14)13-38-17-7-8-22-15(10-17)6-9-23(35)34(22)27-21(31)11-16(12-32-27)28(36)37;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;1-10(2,3)14-9(13)7-4-5-8(11)12-6-7/h4-6,10-11,13-15,17H,7-9,12,16H2,1-3H3;1-3,7-8,10-12,14H,4-6,9,13H2,(H,36,37);1-3,7-8,10,12H,4-6,9,11H2,(H,25,27);4-6H,1-3H3.

What are the key properties of tert-butyl 6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-fluoropyridine-3-carboxylate;tert-butyl 6-iodopyridine-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-fluoropyridine-3-carboxylic acid?

tert-butyl 6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-fluoropyridine-3-carboxylate;tert-butyl 6-iodopyridine-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-fluoropyridine-3-carboxylic acid has a molecular weight of 1927.30 g/mol, XLogP of 23.78, 20 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-5-fluoropyridine-3-carboxylate;tert-butyl 6-iodopyridine-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-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 159300397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).