N-[4-[3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[4-[(6-bromo-2-pyridinyl)methoxy]-3-chloroanilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide

C182H191Br2Cl5FN37O18 — CID 160741684

IUPACN-[4-[3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[4-[(6-bromo-2-pyridinyl)methoxy]-3-chloroanilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide
SMILESCCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cc(Cl)ccn4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(Br)n4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccn(C)n4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)c(Br)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)cc3Cl)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)cc3F)c2cc1NC(=O)CCCN(C)C
InChIInChI=1S/C31H33BrN6O3.C31H33ClN6O3.C31H33FN6O3.C30H30BrClN6O3.C30H30Cl2N6O3.C29H32ClN7O3/c1-5-40-29-16-25-23(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;2*1-5-40-29-16-26-23(15-27(29)36-30(39)9-7-13-38(3)4)31(21(17-33)18-35-26)37-25-11-10-22(14-24(25)32)41-19-28-20(2)8-6-12-34-28;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(32)13-20)41-18-21-7-5-8-28(31)35-21;1-4-40-28-15-25-23(14-26(28)37-29(39)6-5-11-38(2)3)30(19(16-33)17-35-25)36-21-7-8-27(24(32)13-21)41-18-22-12-20(31)9-10-34-22;1-5-39-27-15-24-22(14-25(27)34-28(38)7-6-11-36(2)3)29(19(16-31)17-32-24)33-20-8-9-26(23(30)13-20)40-18-21-10-12-37(4)35-21/h6,8,10-12,14-16,18H,5,7,9,13,19H2,1-4H3,(H,35,36)(H,37,39);2*6,8,10-12,14-16,18H,5,7,9,13,19H2,1-4H3,(H,35,37)(H,36,39);5,7-8,10-11,13-15,17H,4,6,9,12,18H2,1-3H3,(H,34,36)(H,37,39);7-10,12-15,17H,4-6,11,18H2,1-3H3,(H,35,36)(H,37,39);8-10,12-15,17H,5-7,11,18H2,1-4H3,(H,32,33)(H,34,38)
InChIKeyRVRCJZDDHLZHRK-UHFFFAOYSA-N
MW3540.84 g/mol
LogP38.21
Rot. Bonds72

About N-[4-[3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[4-[(6-bromo-2-pyridinyl)methoxy]-3-chloroanilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide

N-[4-[3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[4-[(6-bromo-2-pyridinyl)methoxy]-3-chloroanilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide (PubChem CID 160741684) has the molecular formula C182H191Br2Cl5FN37O18 and a molecular weight of 3540.84 g/mol. Its IUPAC name is N-[4-[3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[4-[(6-bromo-2-pyridinyl)methoxy]-3-chloroanilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide.

Molecular Properties

Compound NameN-[4-[3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[4-[(6-bromo-2-pyridinyl)methoxy]-3-chloroanilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide
PubChem CID160741684
Molecular FormulaC182H191Br2Cl5FN37O18
Molecular Weight3540.84 g/mol
Exact Mass3534.20
IUPAC NameN-[4-[3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[4-[(6-bromo-2-pyridinyl)methoxy]-3-chloroanilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide
SMILESCCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cc(Cl)ccn4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(Br)n4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccn(C)n4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)c(Br)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)cc3Cl)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)cc3F)c2cc1NC(=O)CCCN(C)C
InChIInChI=1S/C31H33BrN6O3.C31H33ClN6O3.C31H33FN6O3.C30H30BrClN6O3.C30H30Cl2N6O3.C29H32ClN7O3/c1-5-40-29-16-25-23(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;2*1-5-40-29-16-26-23(15-27(29)36-30(39)9-7-13-38(3)4)31(21(17-33)18-35-26)37-25-11-10-22(14-24(25)32)41-19-28-20(2)8-6-12-34-28;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(32)13-20)41-18-21-7-5-8-28(31)35-21;1-4-40-28-15-25-23(14-26(28)37-29(39)6-5-11-38(2)3)30(19(16-33)17-35-25)36-21-7-8-27(24(32)13-21)41-18-22-12-20(31)9-10-34-22;1-5-39-27-15-24-22(14-25(27)34-28(38)7-6-11-36(2)3)29(19(16-31)17-32-24)33-20-8-9-26(23(30)13-20)40-18-21-10-12-37(4)35-21/h6,8,10-12,14-16,18H,5,7,9,13,19H2,1-4H3,(H,35,36)(H,37,39);2*6,8,10-12,14-16,18H,5,7,9,13,19H2,1-4H3,(H,35,37)(H,36,39);5,7-8,10-11,13-15,17H,4,6,9,12,18H2,1-3H3,(H,34,36)(H,37,39);7-10,12-15,17H,4-6,11,18H2,1-3H3,(H,35,36)(H,37,39);8-10,12-15,17H,5-7,11,18H2,1-4H3,(H,32,33)(H,34,38)
InChIKeyRVRCJZDDHLZHRK-UHFFFAOYSA-N
XLogP38.21
TPSA679.33 Ų
H-Bond Donors12
H-Bond Acceptors49
Rotatable Bonds72
Heavy Atoms245
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003540.84
LogP ≤ 538.21
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze N-[4-[3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[4-[(6-bromo-2-pyridinyl)methoxy]-3-chloroanilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide
CID 145220465
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
N-[4-[3-chloro-4-[(6-chloro-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 167683863
N-[4-[3-chloro-4-[[5-[[[4-[[4-[3-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]amino]-4-oxobutyl]-methylamino]methyl]-4-methyl-2-pyridinyl]methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide
CID 145220477
N-[3-cyano-7-ethoxy-4-[4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide
CID 145220782
N-[3-cyano-7-ethoxy-4-[2-methyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide
CID 145220722
N-[4-[4-[(3-bromo-2-pyridinyl)methoxy]-3-chloroanilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-ethoxy-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(3-fluoro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methoxy-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;methyl 6-[[2-chloro-4-[[3-cyano-6-[4-(dimethylamino)butanoylamino]-7-ethoxyquinolin-4-yl]amino]phenoxy]methyl]pyridine-3-carboxylate
CID 167692512
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-methoxybutanamide
CID 145220736
N-[4-[2-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]anilino]-3-cyano-7-methylquinolin-6-yl]-4-(dimethylamino)butanamide
CID 159239064
N-[4-[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]anilino]-3-cyano-7-methylquinolin-6-yl]-4-(dimethylamino)butanamide
CID 160934001
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]buta-2,3-dienamide
CID 134556449
N-[3-cyano-4-[4-[[5-[[[4-[[3-cyano-7-ethoxy-4-[2-methyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]amino]-4-oxobutyl]-methylamino]methyl]-3-methylpiperidin-2-yl]methoxy]-2,5-dimethylanilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide
CID 145220517

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[4-[(6-bromo-2-pyridinyl)methoxy]-3-chloroanilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide?
The IUPAC name of N-[4-[3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[4-[(6-bromo-2-pyridinyl)methoxy]-3-chloroanilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide (CID 160741684) is N-[4-[3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[4-[(6-bromo-2-pyridinyl)methoxy]-3-chloroanilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide.
What is the SMILES notation for N-[4-[3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[4-[(6-bromo-2-pyridinyl)methoxy]-3-chloroanilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide?
The canonical SMILES for N-[4-[3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[4-[(6-bromo-2-pyridinyl)methoxy]-3-chloroanilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide is CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cc(Cl)ccn4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(Br)n4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccn(C)n4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)c(Br)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)cc3Cl)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)cc3F)c2cc1NC(=O)CCCN(C)C.
What is the InChIKey of N-[4-[3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[4-[(6-bromo-2-pyridinyl)methoxy]-3-chloroanilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide?
The InChIKey is RVRCJZDDHLZHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33BrN6O3.C31H33ClN6O3.C31H33FN6O3.C30H30BrClN6O3.C30H30Cl2N6O3.C29H32ClN7O3/c1-5-40-29-16-25-23(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;2*1-5-40-29-16-26-23(15-27(29)36-30(39)9-7-13-38(3)4)31(21(17-33)18-35-26)37-25-11-10-22(14-24(25)32)41-19-28-20(2)8-6-12-34-28;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(32)13-20)41-18-21-7-5-8-28(31)35-21;1-4-40-28-15-25-23(14-26(28)37-29(39)6-5-11-38(2)3)30(19(16-33)17-35-25)36-21-7-8-27(24(32)13-21)41-18-22-12-20(31)9-10-34-22;1-5-39-27-15-24-22(14-25(27)34-28(38)7-6-11-36(2)3)29(19(16-31)17-32-24)33-20-8-9-26(23(30)13-20)40-18-21-10-12-37(4)35-21/h6,8,10-12,14-16,18H,5,7,9,13,19H2,1-4H3,(H,35,36)(H,37,39);2*6,8,10-12,14-16,18H,5,7,9,13,19H2,1-4H3,(H,35,37)(H,36,39);5,7-8,10-11,13-15,17H,4,6,9,12,18H2,1-3H3,(H,34,36)(H,37,39);7-10,12-15,17H,4-6,11,18H2,1-3H3,(H,35,36)(H,37,39);8-10,12-15,17H,5-7,11,18H2,1-4H3,(H,32,33)(H,34,38).
What are the key properties of N-[4-[3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[4-[(6-bromo-2-pyridinyl)methoxy]-3-chloroanilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide?
N-[4-[3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[4-[(6-bromo-2-pyridinyl)methoxy]-3-chloroanilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide has a molecular weight of 3540.84 g/mol, XLogP of 38.21, 72 rotatable bonds, 12 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[4-[(6-bromo-2-pyridinyl)methoxy]-3-chloroanilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide is sourced from PubChem (CID 160741684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).