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

C194H211F3N38O18 — CID 158079181

IUPACN-[3-cyano-4-[2-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[2,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-methyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[4-[(3-methyl-2-pyridinyl)methoxy]-2-(trifluoromethyl)anilino]quinolin-6-yl]-4-(dimethylamino)butanamide
SMILESCCOc1cc2ncc(C#N)c(Nc3cc(C)c(OCc4ncccc4C)c(C)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3cc(C)c(OCc4ncccc4C)cc3C)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)c(C#N)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)cc3C#N)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)cc3C(F)(F)F)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)cc3C)c2cc1NC(=O)CCCN(C)C
InChIInChI=1S/2C33H38N6O3.C32H33F3N6O3.2C32H33N7O3.C32H36N6O3/c1-7-41-31-17-27-25(16-28(31)37-32(40)11-9-13-39(5)6)33(24(18-34)19-36-27)38-26-14-23(4)30(15-22(26)3)42-20-29-21(2)10-8-12-35-29;1-7-41-30-17-27-26(16-28(30)38-31(40)11-9-13-39(5)6)32(24(18-34)19-36-27)37-25-14-22(3)33(23(4)15-25)42-20-29-21(2)10-8-12-35-29;1-5-43-29-16-26-23(15-27(29)39-30(42)9-7-13-41(3)4)31(21(17-36)18-38-26)40-25-11-10-22(14-24(25)32(33,34)35)44-19-28-20(2)8-6-12-37-28;1-5-41-30-16-26-25(15-27(30)38-31(40)9-7-13-39(3)4)32(23(18-34)19-36-26)37-24-10-11-29(22(14-24)17-33)42-20-28-21(2)8-6-12-35-28;1-5-41-30-16-27-25(15-28(30)37-31(40)9-7-13-39(3)4)32(23(18-34)19-36-27)38-26-11-10-24(14-22(26)17-33)42-20-29-21(2)8-6-12-35-29;1-6-40-30-17-27-25(16-28(30)36-31(39)10-8-14-38(4)5)32(23(18-33)19-35-27)37-26-12-11-24(15-22(26)3)41-20-29-21(2)9-7-13-34-29/h8,10,12,14-17,19H,7,9,11,13,20H2,1-6H3,(H,36,38)(H,37,40);8,10,12,14-17,19H,7,9,11,13,20H2,1-6H3,(H,36,37)(H,38,40);6,8,10-12,14-16,18H,5,7,9,13,19H2,1-4H3,(H,38,40)(H,39,42);6,8,10-12,14-16,19H,5,7,9,13,20H2,1-4H3,(H,36,37)(H,38,40);6,8,10-12,14-16,19H,5,7,9,13,20H2,1-4H3,(H,36,38)(H,37,40);7,9,11-13,15-17,19H,6,8,10,14,20H2,1-5H3,(H,35,37)(H,36,39)
InChIKeyFMSVRCDVWOJRCU-UHFFFAOYSA-N
MW3420.06 g/mol
LogP37.17
Rot. Bonds72

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

N-[3-cyano-4-[2-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[2,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-methyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[4-[(3-methyl-2-pyridinyl)methoxy]-2-(trifluoromethyl)anilino]quinolin-6-yl]-4-(dimethylamino)butanamide (PubChem CID 158079181) has the molecular formula C194H211F3N38O18 and a molecular weight of 3420.06 g/mol. Its IUPAC name is N-[3-cyano-4-[2-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[2,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-methyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[4-[(3-methyl-2-pyridinyl)methoxy]-2-(trifluoromethyl)anilino]quinolin-6-yl]-4-(dimethylamino)butanamide.

Molecular Properties

Compound NameN-[3-cyano-4-[2-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[2,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-methyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[4-[(3-methyl-2-pyridinyl)methoxy]-2-(trifluoromethyl)anilino]quinolin-6-yl]-4-(dimethylamino)butanamide
PubChem CID158079181
Molecular FormulaC194H211F3N38O18
Molecular Weight3420.06 g/mol
Exact Mass3417.67
IUPAC NameN-[3-cyano-4-[2-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[2,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-methyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[4-[(3-methyl-2-pyridinyl)methoxy]-2-(trifluoromethyl)anilino]quinolin-6-yl]-4-(dimethylamino)butanamide
SMILESCCOc1cc2ncc(C#N)c(Nc3cc(C)c(OCc4ncccc4C)c(C)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3cc(C)c(OCc4ncccc4C)cc3C)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)c(C#N)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)cc3C#N)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)cc3C(F)(F)F)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)cc3C)c2cc1NC(=O)CCCN(C)C
InChIInChI=1S/2C33H38N6O3.C32H33F3N6O3.2C32H33N7O3.C32H36N6O3/c1-7-41-31-17-27-25(16-28(31)37-32(40)11-9-13-39(5)6)33(24(18-34)19-36-27)38-26-14-23(4)30(15-22(26)3)42-20-29-21(2)10-8-12-35-29;1-7-41-30-17-27-26(16-28(30)38-31(40)11-9-13-39(5)6)32(24(18-34)19-36-27)37-25-14-22(3)33(23(4)15-25)42-20-29-21(2)10-8-12-35-29;1-5-43-29-16-26-23(15-27(29)39-30(42)9-7-13-41(3)4)31(21(17-36)18-38-26)40-25-11-10-22(14-24(25)32(33,34)35)44-19-28-20(2)8-6-12-37-28;1-5-41-30-16-26-25(15-27(30)38-31(40)9-7-13-39(3)4)32(23(18-34)19-36-26)37-24-10-11-29(22(14-24)17-33)42-20-28-21(2)8-6-12-35-28;1-5-41-30-16-27-25(15-28(30)37-31(40)9-7-13-39(3)4)32(23(18-34)19-36-27)38-26-11-10-24(14-22(26)17-33)42-20-29-21(2)8-6-12-35-29;1-6-40-30-17-27-25(16-28(30)36-31(39)10-8-14-38(4)5)32(23(18-33)19-35-27)37-26-12-11-24(15-22(26)3)41-20-29-21(2)9-7-13-34-29/h8,10,12,14-17,19H,7,9,11,13,20H2,1-6H3,(H,36,38)(H,37,40);8,10,12,14-17,19H,7,9,11,13,20H2,1-6H3,(H,36,37)(H,38,40);6,8,10-12,14-16,18H,5,7,9,13,19H2,1-4H3,(H,38,40)(H,39,42);6,8,10-12,14-16,19H,5,7,9,13,20H2,1-4H3,(H,36,37)(H,38,40);6,8,10-12,14-16,19H,5,7,9,13,20H2,1-4H3,(H,36,38)(H,37,40);7,9,11-13,15-17,19H,6,8,10,14,20H2,1-5H3,(H,35,37)(H,36,39)
InChIKeyFMSVRCDVWOJRCU-UHFFFAOYSA-N
XLogP37.17
TPSA721.98 Ų
H-Bond Donors12
H-Bond Acceptors50
Rotatable Bonds72
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003420.06
LogP ≤ 537.17
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1050

Analyze N-[3-cyano-4-[2-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[2,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-methyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[4-[(3-methyl-2-pyridinyl)methoxy]-2-(trifluoromethyl)anilino]quinolin-6-yl]-4-(dimethylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Neratinib impurity QL
CID 71765762
(E)-N-[3-cyano-7-ethoxy-4-(4-phenylmethoxyanilino)quinolin-6-yl]-3-pyridin-3-ylprop-2-enamide
CID 156698884
4-Dimethylamino-but-2-enoic acid [4-(4-benzyloxy-3-cyano-phenylamino)-3-cyano-7-ethoxy-quinolin-6-yl]-amide
CID 11157041
(E)-N-[3-cyano-7-ethoxy-4-[3-fluoro-4-(pyridin-2-ylmethoxy)anilino]quinolin-6-yl]-4-(dimethylamino)but-2-enamide
CID 155564719
US10774068, Example 29
CID 145220440
US10774068, Example 23
CID 145220544
US10774068, Example 9
CID 145220661
US10774068, Example 80
CID 145220719
US10774068, Example 22
CID 145220728
US10774068, Example 33
CID 145220435
US10774068, Example 27
CID 145220439
US10774068, Example 47
CID 145220457

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-[2-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[2,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-methyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[4-[(3-methyl-2-pyridinyl)methoxy]-2-(trifluoromethyl)anilino]quinolin-6-yl]-4-(dimethylamino)butanamide?
The IUPAC name of N-[3-cyano-4-[2-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[2,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-methyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[4-[(3-methyl-2-pyridinyl)methoxy]-2-(trifluoromethyl)anilino]quinolin-6-yl]-4-(dimethylamino)butanamide (CID 158079181) is N-[3-cyano-4-[2-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[2,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-methyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[4-[(3-methyl-2-pyridinyl)methoxy]-2-(trifluoromethyl)anilino]quinolin-6-yl]-4-(dimethylamino)butanamide.
What is the SMILES notation for N-[3-cyano-4-[2-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[2,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-methyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[4-[(3-methyl-2-pyridinyl)methoxy]-2-(trifluoromethyl)anilino]quinolin-6-yl]-4-(dimethylamino)butanamide?
The canonical SMILES for N-[3-cyano-4-[2-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[2,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-methyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[4-[(3-methyl-2-pyridinyl)methoxy]-2-(trifluoromethyl)anilino]quinolin-6-yl]-4-(dimethylamino)butanamide is CCOc1cc2ncc(C#N)c(Nc3cc(C)c(OCc4ncccc4C)c(C)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3cc(C)c(OCc4ncccc4C)cc3C)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)c(C#N)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)cc3C#N)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)cc3C(F)(F)F)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4C)cc3C)c2cc1NC(=O)CCCN(C)C.
What is the InChIKey of N-[3-cyano-4-[2-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[2,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-methyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[4-[(3-methyl-2-pyridinyl)methoxy]-2-(trifluoromethyl)anilino]quinolin-6-yl]-4-(dimethylamino)butanamide?
The InChIKey is FMSVRCDVWOJRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H38N6O3.C32H33F3N6O3.2C32H33N7O3.C32H36N6O3/c1-7-41-31-17-27-25(16-28(31)37-32(40)11-9-13-39(5)6)33(24(18-34)19-36-27)38-26-14-23(4)30(15-22(26)3)42-20-29-21(2)10-8-12-35-29;1-7-41-30-17-27-26(16-28(30)38-31(40)11-9-13-39(5)6)32(24(18-34)19-36-27)37-25-14-22(3)33(23(4)15-25)42-20-29-21(2)10-8-12-35-29;1-5-43-29-16-26-23(15-27(29)39-30(42)9-7-13-41(3)4)31(21(17-36)18-38-26)40-25-11-10-22(14-24(25)32(33,34)35)44-19-28-20(2)8-6-12-37-28;1-5-41-30-16-26-25(15-27(30)38-31(40)9-7-13-39(3)4)32(23(18-34)19-36-26)37-24-10-11-29(22(14-24)17-33)42-20-28-21(2)8-6-12-35-28;1-5-41-30-16-27-25(15-28(30)37-31(40)9-7-13-39(3)4)32(23(18-34)19-36-27)38-26-11-10-24(14-22(26)17-33)42-20-29-21(2)8-6-12-35-29;1-6-40-30-17-27-25(16-28(30)36-31(39)10-8-14-38(4)5)32(23(18-33)19-35-27)37-26-12-11-24(15-22(26)3)41-20-29-21(2)9-7-13-34-29/h8,10,12,14-17,19H,7,9,11,13,20H2,1-6H3,(H,36,38)(H,37,40);8,10,12,14-17,19H,7,9,11,13,20H2,1-6H3,(H,36,37)(H,38,40);6,8,10-12,14-16,18H,5,7,9,13,19H2,1-4H3,(H,38,40)(H,39,42);6,8,10-12,14-16,19H,5,7,9,13,20H2,1-4H3,(H,36,37)(H,38,40);6,8,10-12,14-16,19H,5,7,9,13,20H2,1-4H3,(H,36,38)(H,37,40);7,9,11-13,15-17,19H,6,8,10,14,20H2,1-5H3,(H,35,37)(H,36,39).
What are the key properties of N-[3-cyano-4-[2-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[2,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-methyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[4-[(3-methyl-2-pyridinyl)methoxy]-2-(trifluoromethyl)anilino]quinolin-6-yl]-4-(dimethylamino)butanamide?
N-[3-cyano-4-[2-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[2,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-methyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[4-[(3-methyl-2-pyridinyl)methoxy]-2-(trifluoromethyl)anilino]quinolin-6-yl]-4-(dimethylamino)butanamide has a molecular weight of 3420.06 g/mol, XLogP of 37.17, 72 rotatable bonds, 12 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-[2-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3-cyano-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[2,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-4-[3,5-dimethyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[2-methyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide;N-[3-cyano-7-ethoxy-4-[4-[(3-methyl-2-pyridinyl)methoxy]-2-(trifluoromethyl)anilino]quinolin-6-yl]-4-(dimethylamino)butanamide is sourced from PubChem (CID 158079181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).