4-[3-chloro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;1-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-3-(1H-pyrazol-4-yl)propan-2-one;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide

C144H129ClF5N23O23 — CID 160791948

About 4-[3-chloro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;1-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-3-(1H-pyrazol-4-yl)propan-2-one;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide

4-[3-chloro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;1-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-3-(1H-pyrazol-4-yl)propan-2-one;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide (PubChem CID 160791948) has the molecular formula C144H129ClF5N23O23 and a molecular weight of 2680.20 g/mol. Its IUPAC name is 4-[3-chloro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;1-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-3-(1H-pyrazol-4-yl)propan-2-one;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

• Compound Name: 4-[3-chloro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;1-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-3-(1H-pyrazol-4-yl)propan-2-one;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide
• PubChem CID: 160791948
• Molecular Formula: C144H129ClF5N23O23
• Molecular Weight: 2680.20 g/mol
• Exact Mass: 2677.92
• IUPAC Name: 4-[3-chloro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;1-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-3-(1H-pyrazol-4-yl)propan-2-one;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide
• SMILES: CNC(=O)c1cc2c(Oc3ccc(CC(=O)Cc4cnn(C)c4)c(Cl)c3)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)Cc4cnn(C)c4)cc3F)ccnc2cc1OC.COc1cc2nccc(Nc3ccc(CC(=O)Cc4cn[nH]c4)cc3F)c2cc1OC.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cn[nH]c4)cc3F)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cnn(C)c4)cc3F)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cnn(C)c4)cc3F)c2cc1OC
• InChI: InChI=1S/C25H23ClN4O4.C25H23FN4O4.C24H21FN4O4.C24H22FN3O4.C23H19FN4O4.C23H21FN4O3/c1-27-25(32)20-11-19-22(12-24(20)33-3)28-7-6-23(19)34-18-5-4-16(21(26)10-18)9-17(31)8-15-13-29-30(2)14-15;1-27-25(32)19-11-18-21(12-24(19)33-3)28-7-6-22(18)34-23-5-4-15(10-20(23)26)8-17(31)9-16-13-29-30(2)14-16;1-29-13-15(12-28-29)8-16(30)7-14-3-4-22(19(25)9-14)33-21-5-6-27-20-11-23(32-2)18(24(26)31)10-17(20)21;1-28-14-16(13-27-28)9-17(29)8-15-4-5-22(19(25)10-15)32-21-6-7-26-20-12-24(31-3)23(30-2)11-18(20)21;1-31-22-10-19-16(9-17(22)23(25)30)20(4-5-26-19)32-21-3-2-13(8-18(21)24)6-15(29)7-14-11-27-28-12-14;1-30-22-10-17-19(5-6-25-21(17)11-23(22)31-2)28-20-4-3-14(9-18(20)24)7-16(29)8-15-12-26-27-13-15/h2*4-7,10-14H,8-9H2,1-3H3,(H,27,32);3-6,9-13H,7-8H2,1-2H3,(H2,26,31);4-7,10-14H,8-9H2,1-3H3;2-5,8-12H,6-7H2,1H3,(H2,25,30)(H,27,28);3-6,9-13H,7-8H2,1-2H3,(H,25,28)(H,26,27)
• InChIKey: SBYBFAZWITYQML-UHFFFAOYSA-N
• XLogP: 22.95
• TPSA: 584.80 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 48
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2680.20
LogP ≤ 5	22.95
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;1-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-3-(1H-pyrazol-4-yl)propan-2-one;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide?

The IUPAC name of 4-[3-chloro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;1-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-3-(1H-pyrazol-4-yl)propan-2-one;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide (CID 160791948) is 4-[3-chloro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;1-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-3-(1H-pyrazol-4-yl)propan-2-one;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide.

What is the SMILES notation for 4-[3-chloro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;1-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-3-(1H-pyrazol-4-yl)propan-2-one;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide?

The canonical SMILES for 4-[3-chloro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;1-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-3-(1H-pyrazol-4-yl)propan-2-one;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide is CNC(=O)c1cc2c(Oc3ccc(CC(=O)Cc4cnn(C)c4)c(Cl)c3)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)Cc4cnn(C)c4)cc3F)ccnc2cc1OC.COc1cc2nccc(Nc3ccc(CC(=O)Cc4cn[nH]c4)cc3F)c2cc1OC.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cn[nH]c4)cc3F)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cnn(C)c4)cc3F)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cnn(C)c4)cc3F)c2cc1OC.

What is the InChIKey of 4-[3-chloro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;1-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-3-(1H-pyrazol-4-yl)propan-2-one;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide?

The InChIKey is SBYBFAZWITYQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O4.C25H23FN4O4.C24H21FN4O4.C24H22FN3O4.C23H19FN4O4.C23H21FN4O3/c1-27-25(32)20-11-19-22(12-24(20)33-3)28-7-6-23(19)34-18-5-4-16(21(26)10-18)9-17(31)8-15-13-29-30(2)14-15;1-27-25(32)19-11-18-21(12-24(19)33-3)28-7-6-22(18)34-23-5-4-15(10-20(23)26)8-17(31)9-16-13-29-30(2)14-16;1-29-13-15(12-28-29)8-16(30)7-14-3-4-22(19(25)9-14)33-21-5-6-27-20-11-23(32-2)18(24(26)31)10-17(20)21;1-28-14-16(13-27-28)9-17(29)8-15-4-5-22(19(25)10-15)32-21-6-7-26-20-12-24(31-3)23(30-2)11-18(20)21;1-31-22-10-19-16(9-17(22)23(25)30)20(4-5-26-19)32-21-3-2-13(8-18(21)24)6-15(29)7-14-11-27-28-12-14;1-30-22-10-17-19(5-6-25-21(17)11-23(22)31-2)28-20-4-3-14(9-18(20)24)7-16(29)8-15-12-26-27-13-15/h2*4-7,10-14H,8-9H2,1-3H3,(H,27,32);3-6,9-13H,7-8H2,1-2H3,(H2,26,31);4-7,10-14H,8-9H2,1-3H3;2-5,8-12H,6-7H2,1H3,(H2,25,30)(H,27,28);3-6,9-13H,7-8H2,1-2H3,(H,25,28)(H,26,27).

What are the key properties of 4-[3-chloro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;1-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-3-(1H-pyrazol-4-yl)propan-2-one;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide?

4-[3-chloro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;1-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-3-(1H-pyrazol-4-yl)propan-2-one;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide has a molecular weight of 2680.20 g/mol, XLogP of 22.95, 48 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-chloro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;1-[4-[(6,7-dimethoxyquinolin-4-yl)amino]-3-fluorophenyl]-3-(1H-pyrazol-4-yl)propan-2-one;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 160791948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).