1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;bis(1-[3-fluoro-4-(6-methoxy-7-propanoylquinolin-4-yl)oxyphenyl]-3-(1-methylpyrazol-4-yl)propan-2-one);4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]anilino]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]anilino]-7-methoxy-N-methylquinoline-6-carboxamide

C125H116F5N19O18 — CID 159097950

About 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;bis(1-[3-fluoro-4-(6-methoxy-7-propanoylquinolin-4-yl)oxyphenyl]-3-(1-methylpyrazol-4-yl)propan-2-one);4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]anilino]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]anilino]-7-methoxy-N-methylquinoline-6-carboxamide

1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;bis(1-[3-fluoro-4-(6-methoxy-7-propanoylquinolin-4-yl)oxyphenyl]-3-(1-methylpyrazol-4-yl)propan-2-one);4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]anilino]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]anilino]-7-methoxy-N-methylquinoline-6-carboxamide (PubChem CID 159097950) has the molecular formula C125H116F5N19O18 and a molecular weight of 2267.41 g/mol. Its IUPAC name is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;bis(1-[3-fluoro-4-(6-methoxy-7-propanoylquinolin-4-yl)oxyphenyl]-3-(1-methylpyrazol-4-yl)propan-2-one);4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]anilino]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]anilino]-7-methoxy-N-methylquinoline-6-carboxamide.

Molecular Properties

• Compound Name: 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;bis(1-[3-fluoro-4-(6-methoxy-7-propanoylquinolin-4-yl)oxyphenyl]-3-(1-methylpyrazol-4-yl)propan-2-one);4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]anilino]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]anilino]-7-methoxy-N-methylquinoline-6-carboxamide
• PubChem CID: 159097950
• Molecular Formula: C125H116F5N19O18
• Molecular Weight: 2267.41 g/mol
• Exact Mass: 2265.87
• IUPAC Name: 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;bis(1-[3-fluoro-4-(6-methoxy-7-propanoylquinolin-4-yl)oxyphenyl]-3-(1-methylpyrazol-4-yl)propan-2-one);4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]anilino]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]anilino]-7-methoxy-N-methylquinoline-6-carboxamide
• SMILES: CCC(=O)c1cc2nccc(Oc3ccc(CC(=O)Cc4cnn(C)c4)cc3F)c2cc1OC.CCC(=O)c1cc2nccc(Oc3ccc(CC(=O)Cc4cnn(C)c4)cc3F)c2cc1OC.CNC(=O)c1cc2c(Nc3ccc(CC(=O)Cc4cn[nH]c4)cc3F)ccnc2cc1OC.CNC(=O)c1cc2c(Nc3ccc(CC(=O)Cc4cnn(C)c4)cc3F)ccnc2cc1OC.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cnn(C)c4)cc3F)c2cc1OC
• InChI: InChI=1S/2C26H24FN3O4.C25H24FN5O3.C24H22FN5O3.C24H22FN3O4/c2*1-4-23(32)20-12-22-19(13-26(20)33-3)24(7-8-28-22)34-25-6-5-16(11-21(25)27)9-18(31)10-17-14-29-30(2)15-17;1-27-25(33)19-11-18-21(6-7-28-23(18)12-24(19)34-3)30-22-5-4-15(10-20(22)26)8-17(32)9-16-13-29-31(2)14-16;1-26-24(32)18-10-17-20(5-6-27-22(17)11-23(18)33-2)30-21-4-3-14(9-19(21)25)7-16(31)8-15-12-28-29-13-15;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/h2*5-8,11-15H,4,9-10H2,1-3H3;4-7,10-14H,8-9H2,1-3H3,(H,27,33)(H,28,30);3-6,9-13H,7-8H2,1-2H3,(H,26,32)(H,27,30)(H,28,29);4-7,10-14H,8-9H2,1-3H3
• InChIKey: KCXGQYPZRXBVAZ-UHFFFAOYSA-N
• XLogP: 21.12
• TPSA: 449.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 42
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2267.41
LogP ≤ 5	21.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

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

The IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;bis(1-[3-fluoro-4-(6-methoxy-7-propanoylquinolin-4-yl)oxyphenyl]-3-(1-methylpyrazol-4-yl)propan-2-one);4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]anilino]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]anilino]-7-methoxy-N-methylquinoline-6-carboxamide (CID 159097950) is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;bis(1-[3-fluoro-4-(6-methoxy-7-propanoylquinolin-4-yl)oxyphenyl]-3-(1-methylpyrazol-4-yl)propan-2-one);4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]anilino]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]anilino]-7-methoxy-N-methylquinoline-6-carboxamide.

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

The canonical SMILES for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;bis(1-[3-fluoro-4-(6-methoxy-7-propanoylquinolin-4-yl)oxyphenyl]-3-(1-methylpyrazol-4-yl)propan-2-one);4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]anilino]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]anilino]-7-methoxy-N-methylquinoline-6-carboxamide is CCC(=O)c1cc2nccc(Oc3ccc(CC(=O)Cc4cnn(C)c4)cc3F)c2cc1OC.CCC(=O)c1cc2nccc(Oc3ccc(CC(=O)Cc4cnn(C)c4)cc3F)c2cc1OC.CNC(=O)c1cc2c(Nc3ccc(CC(=O)Cc4cn[nH]c4)cc3F)ccnc2cc1OC.CNC(=O)c1cc2c(Nc3ccc(CC(=O)Cc4cnn(C)c4)cc3F)ccnc2cc1OC.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cnn(C)c4)cc3F)c2cc1OC.

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

The InChIKey is KCXGQYPZRXBVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H24FN3O4.C25H24FN5O3.C24H22FN5O3.C24H22FN3O4/c2*1-4-23(32)20-12-22-19(13-26(20)33-3)24(7-8-28-22)34-25-6-5-16(11-21(25)27)9-18(31)10-17-14-29-30(2)15-17;1-27-25(33)19-11-18-21(6-7-28-23(18)12-24(19)34-3)30-22-5-4-15(10-20(22)26)8-17(32)9-16-13-29-31(2)14-16;1-26-24(32)18-10-17-20(5-6-27-22(17)11-23(18)33-2)30-21-4-3-14(9-19(21)25)7-16(31)8-15-12-28-29-13-15;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/h2*5-8,11-15H,4,9-10H2,1-3H3;4-7,10-14H,8-9H2,1-3H3,(H,27,33)(H,28,30);3-6,9-13H,7-8H2,1-2H3,(H,26,32)(H,27,30)(H,28,29);4-7,10-14H,8-9H2,1-3H3.

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

1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;bis(1-[3-fluoro-4-(6-methoxy-7-propanoylquinolin-4-yl)oxyphenyl]-3-(1-methylpyrazol-4-yl)propan-2-one);4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]anilino]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]anilino]-7-methoxy-N-methylquinoline-6-carboxamide has a molecular weight of 2267.41 g/mol, XLogP of 21.12, 42 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-methylpyrazol-4-yl)propan-2-one;bis(1-[3-fluoro-4-(6-methoxy-7-propanoylquinolin-4-yl)oxyphenyl]-3-(1-methylpyrazol-4-yl)propan-2-one);4-[2-fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]anilino]-7-methoxy-N-methylquinoline-6-carboxamide;4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]anilino]-7-methoxy-N-methylquinoline-6-carboxamide is sourced from PubChem (CID 159097950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).