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

C155H161BrCl5FN30O19 — CID 167692512

IUPACN-[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
SMILESCCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc(C(=O)OC)cn4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc(OC)cn4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4Br)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4F)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1ccc(COc2ccc(Nc3c(C#N)cnc4cc(OCC)c(NC(=O)CCCN(C)C)cc34)cc2Cl)nc1
InChIInChI=1S/C32H33ClN6O5.C32H35ClN6O4.C31H33ClN6O4.C30H30BrClN6O3.C30H30ClFN6O3/c1-5-43-29-15-26-24(14-27(29)38-30(40)7-6-12-39(2)3)31(21(16-34)18-36-26)37-22-10-11-28(25(33)13-22)44-19-23-9-8-20(17-35-23)32(41)42-4;1-5-41-24-11-9-23(35-19-24)20-43-29-12-10-22(14-26(29)33)37-32-21(17-34)18-36-27-16-30(42-6-2)28(15-25(27)32)38-31(40)8-7-13-39(3)4;1-5-41-29-15-26-24(14-27(29)37-30(39)7-6-12-38(2)3)31(20(16-33)17-35-26)36-21-9-11-28(25(32)13-21)42-19-22-8-10-23(40-4)18-34-22;1-4-40-28-15-24-21(14-25(28)37-29(39)8-6-12-38(2)3)30(19(16-33)17-35-24)36-20-9-10-27(23(32)13-20)41-18-26-22(31)7-5-11-34-26;1-4-40-28-15-24-21(14-25(28)37-29(39)8-6-12-38(2)3)30(19(16-33)17-35-24)36-20-9-10-27(22(31)13-20)41-18-26-23(32)7-5-11-34-26/h8-11,13-15,17-18H,5-7,12,19H2,1-4H3,(H,36,37)(H,38,40);9-12,14-16,18-19H,5-8,13,20H2,1-4H3,(H,36,37)(H,38,40);8-11,13-15,17-18H,5-7,12,19H2,1-4H3,(H,35,36)(H,37,39);2*5,7,9-11,13-15,17H,4,6,8,12,18H2,1-3H3,(H,35,36)(H,37,39)
InChIKeyXDUOODDKTNKKBF-UHFFFAOYSA-N
MW3024.35 g/mol
LogP31.88
Rot. Bonds64

About 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

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 (PubChem CID 167692512) has the molecular formula C155H161BrCl5FN30O19 and a molecular weight of 3024.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID167692512
Molecular FormulaC155H161BrCl5FN30O19
Molecular Weight3024.35 g/mol
Exact Mass3019.02
IUPAC NameN-[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
SMILESCCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc(C(=O)OC)cn4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc(OC)cn4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4Br)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4F)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1ccc(COc2ccc(Nc3c(C#N)cnc4cc(OCC)c(NC(=O)CCCN(C)C)cc34)cc2Cl)nc1
InChIInChI=1S/C32H33ClN6O5.C32H35ClN6O4.C31H33ClN6O4.C30H30BrClN6O3.C30H30ClFN6O3/c1-5-43-29-15-26-24(14-27(29)38-30(40)7-6-12-39(2)3)31(21(16-34)18-36-26)37-22-10-11-28(25(33)13-22)44-19-23-9-8-20(17-35-23)32(41)42-4;1-5-41-24-11-9-23(35-19-24)20-43-29-12-10-22(14-26(29)33)37-32-21(17-34)18-36-27-16-30(42-6-2)28(15-25(27)32)38-31(40)8-7-13-39(3)4;1-5-41-29-15-26-24(14-27(29)37-30(39)7-6-12-38(2)3)31(20(16-33)17-35-26)36-21-9-11-28(25(32)13-21)42-19-22-8-10-23(40-4)18-34-22;1-4-40-28-15-24-21(14-25(28)37-29(39)8-6-12-38(2)3)30(19(16-33)17-35-24)36-20-9-10-27(23(32)13-20)41-18-26-22(31)7-5-11-34-26;1-4-40-28-15-24-21(14-25(28)37-29(39)8-6-12-38(2)3)30(19(16-33)17-35-24)36-20-9-10-27(22(31)13-20)41-18-26-23(32)7-5-11-34-26/h8-11,13-15,17-18H,5-7,12,19H2,1-4H3,(H,36,37)(H,38,40);9-12,14-16,18-19H,5-8,13,20H2,1-4H3,(H,36,37)(H,38,40);8-11,13-15,17-18H,5-7,12,19H2,1-4H3,(H,35,36)(H,37,39);2*5,7,9-11,13-15,17H,4,6,8,12,18H2,1-3H3,(H,35,36)(H,37,39)
InChIKeyXDUOODDKTNKKBF-UHFFFAOYSA-N
XLogP31.88
TPSA606.76 Ų
H-Bond Donors10
H-Bond Acceptors44
Rotatable Bonds64
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003024.35
LogP ≤ 531.88
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1044

Analyze 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 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-[[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-[(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-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-methoxybutanamide
CID 145220736
N-[3-cyano-7-ethoxy-4-[4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide
CID 145220782
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-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
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-[2-methyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide
CID 145220722
(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;ethane
CID 143981785
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-2-fluoroprop-2-enamide
CID 85471289
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]buta-2,3-dienamide
CID 134556449

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc(C(=O)OC)cn4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc(OC)cn4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4Br)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4F)c(Cl)c3)c2cc1NC(=O)CCCN(C)C.CCOc1ccc(COc2ccc(Nc3c(C#N)cnc4cc(OCC)c(NC(=O)CCCN(C)C)cc34)cc2Cl)nc1.
What is the InChIKey of 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?
The InChIKey is XDUOODDKTNKKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClN6O5.C32H35ClN6O4.C31H33ClN6O4.C30H30BrClN6O3.C30H30ClFN6O3/c1-5-43-29-15-26-24(14-27(29)38-30(40)7-6-12-39(2)3)31(21(16-34)18-36-26)37-22-10-11-28(25(33)13-22)44-19-23-9-8-20(17-35-23)32(41)42-4;1-5-41-24-11-9-23(35-19-24)20-43-29-12-10-22(14-26(29)33)37-32-21(17-34)18-36-27-16-30(42-6-2)28(15-25(27)32)38-31(40)8-7-13-39(3)4;1-5-41-29-15-26-24(14-27(29)37-30(39)7-6-12-38(2)3)31(20(16-33)17-35-26)36-21-9-11-28(25(32)13-21)42-19-22-8-10-23(40-4)18-34-22;1-4-40-28-15-24-21(14-25(28)37-29(39)8-6-12-38(2)3)30(19(16-33)17-35-24)36-20-9-10-27(23(32)13-20)41-18-26-22(31)7-5-11-34-26;1-4-40-28-15-24-21(14-25(28)37-29(39)8-6-12-38(2)3)30(19(16-33)17-35-24)36-20-9-10-27(22(31)13-20)41-18-26-23(32)7-5-11-34-26/h8-11,13-15,17-18H,5-7,12,19H2,1-4H3,(H,36,37)(H,38,40);9-12,14-16,18-19H,5-8,13,20H2,1-4H3,(H,36,37)(H,38,40);8-11,13-15,17-18H,5-7,12,19H2,1-4H3,(H,35,36)(H,37,39);2*5,7,9-11,13-15,17H,4,6,8,12,18H2,1-3H3,(H,35,36)(H,37,39).
What are the key properties of 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?
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 has a molecular weight of 3024.35 g/mol, XLogP of 31.88, 64 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167692512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).