N-[4-[3-chloro-4-[(4-cyano-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dichloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide

C154H158Cl5F2N31O16 — CID 162078715

About N-[4-[3-chloro-4-[(4-cyano-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dichloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide

N-[4-[3-chloro-4-[(4-cyano-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dichloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide (PubChem CID 162078715) has the molecular formula C154H158Cl5F2N31O16 and a molecular weight of 2914.42 g/mol. Its IUPAC name is N-[4-[3-chloro-4-[(4-cyano-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dichloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide.

Molecular Properties

• Compound Name: N-[4-[3-chloro-4-[(4-cyano-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dichloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide
• PubChem CID: 162078715
• Molecular Formula: C154H158Cl5F2N31O16
• Molecular Weight: 2914.42 g/mol
• Exact Mass: 2910.09
• IUPAC Name: N-[4-[3-chloro-4-[(4-cyano-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dichloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide
• SMILES: CCOc1cc2ncc(C#N)c(Nc3cc(Cl)c(OCc4ncccc4C)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cc(C#N)ccn4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)n4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(OC)n4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)c(F)c3)c2cc1NC(=O)CCCN(C)C
• InChI: InChI=1S/C31H32Cl2N6O3.C31H30ClN7O3.C31H33ClN6O4.C31H33FN6O3.C30H30ClFN6O3/c1-5-41-28-15-25-22(14-26(28)38-29(40)9-7-11-39(3)4)30(20(16-34)17-36-25)37-21-12-23(32)31(24(33)13-21)42-18-27-19(2)8-6-10-35-27;1-4-41-29-15-26-24(14-27(29)38-30(40)6-5-11-39(2)3)31(21(17-34)18-36-26)37-22-7-8-28(25(32)13-22)42-19-23-12-20(16-33)9-10-35-23;1-5-41-28-16-25-23(15-26(28)37-29(39)9-7-13-38(2)3)31(20(17-33)18-34-25)36-21-11-12-27(24(32)14-21)42-19-22-8-6-10-30(35-22)40-4;1-5-40-29-16-25-23(15-26(29)37-30(39)9-7-13-38(3)4)31(21(17-33)18-35-25)36-22-10-11-28(24(32)14-22)41-19-27-20(2)8-6-12-34-27;1-4-40-27-15-24-22(14-25(27)37-29(39)9-6-12-38(2)3)30(19(16-33)17-34-24)36-20-10-11-26(23(31)13-20)41-18-21-7-5-8-28(32)35-21/h6,8,10,12-15,17H,5,7,9,11,18H2,1-4H3,(H,36,37)(H,38,40);7-10,12-15,18H,4-6,11,19H2,1-3H3,(H,36,37)(H,38,40);6,8,10-12,14-16,18H,5,7,9,13,19H2,1-4H3,(H,34,36)(H,37,39);6,8,10-12,14-16,18H,5,7,9,13,19H2,1-4H3,(H,35,36)(H,37,39);5,7-8,10-11,13-15,17H,4,6,9,12,18H2,1-3H3,(H,34,36)(H,37,39)
• InChIKey: ZCAYZERDGGTBEZ-UHFFFAOYSA-N
• XLogP: 31.56
• TPSA: 595.02 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 61
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2914.42
LogP ≤ 5	31.56
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-chloro-4-[(4-cyano-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dichloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide?

The IUPAC name of N-[4-[3-chloro-4-[(4-cyano-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dichloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide (CID 162078715) is N-[4-[3-chloro-4-[(4-cyano-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dichloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide.

What is the SMILES notation for N-[4-[3-chloro-4-[(4-cyano-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dichloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide?

The canonical SMILES for N-[4-[3-chloro-4-[(4-cyano-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dichloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide is CCOc1cc2ncc(C#N)c(Nc3cc(Cl)c(OCc4ncccc4C)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cc(C#N)ccn4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)n4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(OC)n4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)c(F)c3)c2cc1NC(=O)CCCN(C)C.

What is the InChIKey of N-[4-[3-chloro-4-[(4-cyano-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dichloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide?

The InChIKey is ZCAYZERDGGTBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32Cl2N6O3.C31H30ClN7O3.C31H33ClN6O4.C31H33FN6O3.C30H30ClFN6O3/c1-5-41-28-15-25-22(14-26(28)38-29(40)9-7-11-39(3)4)30(20(16-34)17-36-25)37-21-12-23(32)31(24(33)13-21)42-18-27-19(2)8-6-10-35-27;1-4-41-29-15-26-24(14-27(29)38-30(40)6-5-11-39(2)3)31(21(17-34)18-36-26)37-22-7-8-28(25(32)13-22)42-19-23-12-20(16-33)9-10-35-23;1-5-41-28-16-25-23(15-26(28)37-29(39)9-7-13-38(2)3)31(20(17-33)18-34-25)36-21-11-12-27(24(32)14-21)42-19-22-8-6-10-30(35-22)40-4;1-5-40-29-16-25-23(15-26(29)37-30(39)9-7-13-38(3)4)31(21(17-33)18-35-25)36-22-10-11-28(24(32)14-22)41-19-27-20(2)8-6-12-34-27;1-4-40-27-15-24-22(14-25(27)37-29(39)9-6-12-38(2)3)30(19(16-33)17-34-24)36-20-10-11-26(23(31)13-20)41-18-21-7-5-8-28(32)35-21/h6,8,10,12-15,17H,5,7,9,11,18H2,1-4H3,(H,36,37)(H,38,40);7-10,12-15,18H,4-6,11,19H2,1-3H3,(H,36,37)(H,38,40);6,8,10-12,14-16,18H,5,7,9,13,19H2,1-4H3,(H,34,36)(H,37,39);6,8,10-12,14-16,18H,5,7,9,13,19H2,1-4H3,(H,35,36)(H,37,39);5,7-8,10-11,13-15,17H,4,6,9,12,18H2,1-3H3,(H,34,36)(H,37,39).

What are the key properties of N-[4-[3-chloro-4-[(4-cyano-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dichloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide?

N-[4-[3-chloro-4-[(4-cyano-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dichloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide has a molecular weight of 2914.42 g/mol, XLogP of 31.56, 61 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-chloro-4-[(4-cyano-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dichloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide is sourced from PubChem (CID 162078715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).