N-[4-[3-chloro-4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methylpyrazin-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide

C151H165Cl5N34O17 — CID 162292284

IUPACN-[4-[3-chloro-4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methylpyrazin-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide
SMILESCCOc1cc2ncc(C#N)c(Nc3ccc(OCCCc4ncn[nH]4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cnc(C)cn4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cnc5c(c4)CCCO5)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncc(C)o4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4nccn4CC)c(Cl)c3)c2cc1NC(=O)CCCN(C)C
InChIInChI=1S/C33H35ClN6O4.C30H32ClN7O3.C30H34ClN7O3.C29H33ClN8O3.C29H31ClN6O4/c1-4-42-30-16-27-25(15-28(30)39-31(41)8-5-11-40(2)3)32(23(17-35)19-36-27)38-24-9-10-29(26(34)14-24)44-20-21-13-22-7-6-12-43-33(22)37-18-21;1-5-40-28-13-25-23(12-26(28)37-29(39)7-6-10-38(3)4)30(20(14-32)16-35-25)36-21-8-9-27(24(31)11-21)41-18-22-17-33-19(2)15-34-22;1-5-38-13-11-33-28(38)19-41-26-10-9-21(14-23(26)31)35-30-20(17-32)18-34-24-16-27(40-6-2)25(15-22(24)30)36-29(39)8-7-12-37(3)4;1-4-40-26-15-23-21(14-24(26)36-28(39)8-5-11-38(2)3)29(19(16-31)17-32-23)35-20-9-10-25(22(30)13-20)41-12-6-7-27-33-18-34-37-27;1-5-38-26-13-23-21(12-24(26)35-27(37)7-6-10-36(3)4)29(19(14-31)16-32-23)34-20-8-9-25(22(30)11-20)39-17-28-33-15-18(2)40-28/h9-10,13-16,18-19H,4-8,11-12,20H2,1-3H3,(H,36,38)(H,39,41);8-9,11-13,15-17H,5-7,10,18H2,1-4H3,(H,35,36)(H,37,39);9-11,13-16,18H,5-8,12,19H2,1-4H3,(H,34,35)(H,36,39);9-10,13-15,17-18H,4-8,11-12H2,1-3H3,(H,32,35)(H,36,39)(H,33,34,37);8-9,11-13,15-16H,5-7,10,17H2,1-4H3,(H,32,34)(H,35,37)
InChIKeyHHHLXEQZPWLZSD-UHFFFAOYSA-N
MW2905.47 g/mol
LogP29.69
Rot. Bonds63

About N-[4-[3-chloro-4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methylpyrazin-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide

N-[4-[3-chloro-4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methylpyrazin-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide (PubChem CID 162292284) has the molecular formula C151H165Cl5N34O17 and a molecular weight of 2905.47 g/mol. Its IUPAC name is N-[4-[3-chloro-4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methylpyrazin-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide.

Molecular Properties

Compound NameN-[4-[3-chloro-4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methylpyrazin-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide
PubChem CID162292284
Molecular FormulaC151H165Cl5N34O17
Molecular Weight2905.47 g/mol
Exact Mass2901.15
IUPAC NameN-[4-[3-chloro-4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methylpyrazin-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide
SMILESCCOc1cc2ncc(C#N)c(Nc3ccc(OCCCc4ncn[nH]4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cnc(C)cn4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cnc5c(c4)CCCO5)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncc(C)o4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4nccn4CC)c(Cl)c3)c2cc1NC(=O)CCCN(C)C
InChIInChI=1S/C33H35ClN6O4.C30H32ClN7O3.C30H34ClN7O3.C29H33ClN8O3.C29H31ClN6O4/c1-4-42-30-16-27-25(15-28(30)39-31(41)8-5-11-40(2)3)32(23(17-35)19-36-27)38-24-9-10-29(26(34)14-24)44-20-21-13-22-7-6-12-43-33(22)37-18-21;1-5-40-28-13-25-23(12-26(28)37-29(39)7-6-10-38(3)4)30(20(14-32)16-35-25)36-21-8-9-27(24(31)11-21)41-18-22-17-33-19(2)15-34-22;1-5-38-13-11-33-28(38)19-41-26-10-9-21(14-23(26)31)35-30-20(17-32)18-34-24-16-27(40-6-2)25(15-22(24)30)36-29(39)8-7-12-37(3)4;1-4-40-26-15-23-21(14-24(26)36-28(39)8-5-11-38(2)3)29(19(16-31)17-32-23)35-20-9-10-25(22(30)13-20)41-12-6-7-27-33-18-34-37-27;1-5-38-26-13-23-21(12-24(26)35-27(37)7-6-10-36(3)4)29(19(14-31)16-32-23)34-20-8-9-25(22(30)11-20)39-17-28-33-15-18(2)40-28/h9-10,13-16,18-19H,4-8,11-12,20H2,1-3H3,(H,36,38)(H,39,41);8-9,11-13,15-17H,5-7,10,18H2,1-4H3,(H,35,36)(H,37,39);9-11,13-16,18H,5-8,12,19H2,1-4H3,(H,34,35)(H,36,39);9-10,13-15,17-18H,4-8,11-12H2,1-3H3,(H,32,35)(H,36,39)(H,33,34,37);8-9,11-13,15-16H,5-7,10,17H2,1-4H3,(H,32,34)(H,35,37)
InChIKeyHHHLXEQZPWLZSD-UHFFFAOYSA-N
XLogP29.69
TPSA630.87 Ų
H-Bond Donors11
H-Bond Acceptors45
Rotatable Bonds63
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002905.47
LogP ≤ 529.69
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[3-chloro-4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methylpyrazin-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide with MolForge

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Related Compounds

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-[(4-chloro-2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide
CID 145220465
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-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-methoxybutanamide
CID 145220736
N-[4-[3-chloro-4-[(5-methylpiperazin-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide
CID 155109781
N-[3-cyano-7-ethoxy-4-[4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide
CID 145220782
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-[(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
(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]pent-2-enamide
CID 118927925
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]buta-2,3-dienamide
CID 134556449
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
(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;ethane
CID 143981785

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-chloro-4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methylpyrazin-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide?
The IUPAC name of N-[4-[3-chloro-4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methylpyrazin-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide (CID 162292284) is N-[4-[3-chloro-4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methylpyrazin-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide.
What is the SMILES notation for N-[4-[3-chloro-4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methylpyrazin-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide?
The canonical SMILES for N-[4-[3-chloro-4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methylpyrazin-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide is CCOc1cc2ncc(C#N)c(Nc3ccc(OCCCc4ncn[nH]4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cnc(C)cn4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cnc5c(c4)CCCO5)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncc(C)o4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4nccn4CC)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.
What is the InChIKey of N-[4-[3-chloro-4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methylpyrazin-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide?
The InChIKey is HHHLXEQZPWLZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35ClN6O4.C30H32ClN7O3.C30H34ClN7O3.C29H33ClN8O3.C29H31ClN6O4/c1-4-42-30-16-27-25(15-28(30)39-31(41)8-5-11-40(2)3)32(23(17-35)19-36-27)38-24-9-10-29(26(34)14-24)44-20-21-13-22-7-6-12-43-33(22)37-18-21;1-5-40-28-13-25-23(12-26(28)37-29(39)7-6-10-38(3)4)30(20(14-32)16-35-25)36-21-8-9-27(24(31)11-21)41-18-22-17-33-19(2)15-34-22;1-5-38-13-11-33-28(38)19-41-26-10-9-21(14-23(26)31)35-30-20(17-32)18-34-24-16-27(40-6-2)25(15-22(24)30)36-29(39)8-7-12-37(3)4;1-4-40-26-15-23-21(14-24(26)36-28(39)8-5-11-38(2)3)29(19(16-31)17-32-23)35-20-9-10-25(22(30)13-20)41-12-6-7-27-33-18-34-37-27;1-5-38-26-13-23-21(12-24(26)35-27(37)7-6-10-36(3)4)29(19(14-31)16-32-23)34-20-8-9-25(22(30)11-20)39-17-28-33-15-18(2)40-28/h9-10,13-16,18-19H,4-8,11-12,20H2,1-3H3,(H,36,38)(H,39,41);8-9,11-13,15-17H,5-7,10,18H2,1-4H3,(H,35,36)(H,37,39);9-11,13-16,18H,5-8,12,19H2,1-4H3,(H,34,35)(H,36,39);9-10,13-15,17-18H,4-8,11-12H2,1-3H3,(H,32,35)(H,36,39)(H,33,34,37);8-9,11-13,15-16H,5-7,10,17H2,1-4H3,(H,32,34)(H,35,37).
What are the key properties of N-[4-[3-chloro-4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methylpyrazin-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide?
N-[4-[3-chloro-4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methylpyrazin-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide has a molecular weight of 2905.47 g/mol, XLogP of 29.69, 63 rotatable bonds, 11 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-chloro-4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[(5-methylpyrazin-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide;N-[4-[3-chloro-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)butanamide is sourced from PubChem (CID 162292284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).