4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-2-oxo-4-[(2S)-pyrrolidin-2-yl]but-3-enyl]quinoline-3-carbonitrile;(E)-1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-[(2S)-1-methylpyrrolidin-2-yl]but-3-en-2-one

C160H154Cl5N25O15 — CID 159929261

IUPAC4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-2-oxo-4-[(2S)-pyrrolidin-2-yl]but-3-enyl]quinoline-3-carbonitrile;(E)-1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-[(2S)-1-methylpyrrolidin-2-yl]but-3-en-2-one
SMILESCCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1CC(=O)/C=C/[C@@H]1CCCN1.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1CC(=O)/C=C/[C@@H]1CCCN1C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1CC(=O)/C=C/[C@@H]1C[C@@H](O)CN1C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1CC(=O)/C=C/[C@H]1CCCN1C.CN1CCC[C@H]1/C=C/C(=O)Cc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1
InChIInChI=1S/C33H32ClN5O4.2C33H32ClN5O3.C32H30ClN5O3.C29H28ClN5O2/c1-3-42-32-16-30-28(13-21(32)12-26(40)9-8-25-15-27(41)19-39(25)2)33(22(17-35)18-37-30)38-23-7-10-31(29(34)14-23)43-20-24-6-4-5-11-36-24;2*1-3-41-32-18-30-28(16-22(32)15-27(40)11-10-26-8-6-14-39(26)2)33(23(19-35)20-37-30)38-24-9-12-31(29(34)17-24)42-21-25-7-4-5-13-36-25;1-2-40-31-17-29-27(15-21(31)14-26(39)10-8-23-7-5-13-35-23)32(22(18-34)19-37-29)38-24-9-11-30(28(33)16-24)41-20-25-6-3-4-12-36-25;1-35-14-4-6-23(35)9-10-24(36)15-20-7-11-27-25(16-20)29(33-19-32-27)34-21-8-12-28(26(30)17-21)37-18-22-5-2-3-13-31-22/h4-11,13-14,16,18,25,27,41H,3,12,15,19-20H2,1-2H3,(H,37,38);2*4-5,7,9-13,16-18,20,26H,3,6,8,14-15,21H2,1-2H3,(H,37,38);3-4,6,8-12,15-17,19,23,35H,2,5,7,13-14,20H2,1H3,(H,37,38);2-3,5,7-13,16-17,19,23H,4,6,14-15,18H2,1H3,(H,32,33,34)/b9-8+;2*11-10+;10-8+;10-9+/t25-,27-;2*26-;2*23-/m11000/s1
InChIKeyNZKUCEVCXOTJNC-NKJZQGNTSA-N
MW2844.42 g/mol
LogP30.94
Rot. Bonds53

About 4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-2-oxo-4-[(2S)-pyrrolidin-2-yl]but-3-enyl]quinoline-3-carbonitrile;(E)-1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-[(2S)-1-methylpyrrolidin-2-yl]but-3-en-2-one

4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-2-oxo-4-[(2S)-pyrrolidin-2-yl]but-3-enyl]quinoline-3-carbonitrile;(E)-1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-[(2S)-1-methylpyrrolidin-2-yl]but-3-en-2-one (PubChem CID 159929261) has the molecular formula C160H154Cl5N25O15 and a molecular weight of 2844.42 g/mol. Its IUPAC name is 4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-2-oxo-4-[(2S)-pyrrolidin-2-yl]but-3-enyl]quinoline-3-carbonitrile;(E)-1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-[(2S)-1-methylpyrrolidin-2-yl]but-3-en-2-one.

Molecular Properties

Compound Name4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-2-oxo-4-[(2S)-pyrrolidin-2-yl]but-3-enyl]quinoline-3-carbonitrile;(E)-1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-[(2S)-1-methylpyrrolidin-2-yl]but-3-en-2-one
PubChem CID159929261
Molecular FormulaC160H154Cl5N25O15
Molecular Weight2844.42 g/mol
Exact Mass2840.05
IUPAC Name4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-2-oxo-4-[(2S)-pyrrolidin-2-yl]but-3-enyl]quinoline-3-carbonitrile;(E)-1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-[(2S)-1-methylpyrrolidin-2-yl]but-3-en-2-one
SMILESCCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1CC(=O)/C=C/[C@@H]1CCCN1.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1CC(=O)/C=C/[C@@H]1CCCN1C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1CC(=O)/C=C/[C@@H]1C[C@@H](O)CN1C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1CC(=O)/C=C/[C@H]1CCCN1C.CN1CCC[C@H]1/C=C/C(=O)Cc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1
InChIInChI=1S/C33H32ClN5O4.2C33H32ClN5O3.C32H30ClN5O3.C29H28ClN5O2/c1-3-42-32-16-30-28(13-21(32)12-26(40)9-8-25-15-27(41)19-39(25)2)33(22(17-35)18-37-30)38-23-7-10-31(29(34)14-23)43-20-24-6-4-5-11-36-24;2*1-3-41-32-18-30-28(16-22(32)15-27(40)11-10-26-8-6-14-39(26)2)33(23(19-35)20-37-30)38-24-9-12-31(29(34)17-24)42-21-25-7-4-5-13-36-25;1-2-40-31-17-29-27(15-21(31)14-26(39)10-8-23-7-5-13-35-23)32(22(18-34)19-37-29)38-24-9-11-30(28(33)16-24)41-20-25-6-3-4-12-36-25;1-35-14-4-6-23(35)9-10-24(36)15-20-7-11-27-25(16-20)29(33-19-32-27)34-21-8-12-28(26(30)17-21)37-18-22-5-2-3-13-31-22/h4-11,13-14,16,18,25,27,41H,3,12,15,19-20H2,1-2H3,(H,37,38);2*4-5,7,9-13,16-18,20,26H,3,6,8,14-15,21H2,1-2H3,(H,37,38);3-4,6,8-12,15-17,19,23,35H,2,5,7,13-14,20H2,1H3,(H,37,38);2-3,5,7-13,16-17,19,23H,4,6,14-15,18H2,1H3,(H,32,33,34)/b9-8+;2*11-10+;10-8+;10-9+/t25-,27-;2*26-;2*23-/m11000/s1
InChIKeyNZKUCEVCXOTJNC-NKJZQGNTSA-N
XLogP30.94
TPSA510.74 Ų
H-Bond Donors7
H-Bond Acceptors40
Rotatable Bonds53
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002844.42
LogP ≤ 530.94
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-2-oxo-4-[(2S)-pyrrolidin-2-yl]but-3-enyl]quinoline-3-carbonitrile;(E)-1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-[(2S)-1-methylpyrrolidin-2-yl]but-3-en-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-2-oxo-4-[(2S)-pyrrolidin-2-yl]but-3-enyl]quinoline-3-carbonitrile;(E)-1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-[(2S)-1-methylpyrrolidin-2-yl]but-3-en-2-one?
The IUPAC name of 4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-2-oxo-4-[(2S)-pyrrolidin-2-yl]but-3-enyl]quinoline-3-carbonitrile;(E)-1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-[(2S)-1-methylpyrrolidin-2-yl]but-3-en-2-one (CID 159929261) is 4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-2-oxo-4-[(2S)-pyrrolidin-2-yl]but-3-enyl]quinoline-3-carbonitrile;(E)-1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-[(2S)-1-methylpyrrolidin-2-yl]but-3-en-2-one.
What is the SMILES notation for 4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-2-oxo-4-[(2S)-pyrrolidin-2-yl]but-3-enyl]quinoline-3-carbonitrile;(E)-1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-[(2S)-1-methylpyrrolidin-2-yl]but-3-en-2-one?
The canonical SMILES for 4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-2-oxo-4-[(2S)-pyrrolidin-2-yl]but-3-enyl]quinoline-3-carbonitrile;(E)-1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-[(2S)-1-methylpyrrolidin-2-yl]but-3-en-2-one is CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1CC(=O)/C=C/[C@@H]1CCCN1.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1CC(=O)/C=C/[C@@H]1CCCN1C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1CC(=O)/C=C/[C@@H]1C[C@@H](O)CN1C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1CC(=O)/C=C/[C@H]1CCCN1C.CN1CCC[C@H]1/C=C/C(=O)Cc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1.
What is the InChIKey of 4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-2-oxo-4-[(2S)-pyrrolidin-2-yl]but-3-enyl]quinoline-3-carbonitrile;(E)-1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-[(2S)-1-methylpyrrolidin-2-yl]but-3-en-2-one?
The InChIKey is NZKUCEVCXOTJNC-NKJZQGNTSA-N. The full InChI is InChI=1S/C33H32ClN5O4.2C33H32ClN5O3.C32H30ClN5O3.C29H28ClN5O2/c1-3-42-32-16-30-28(13-21(32)12-26(40)9-8-25-15-27(41)19-39(25)2)33(22(17-35)18-37-30)38-23-7-10-31(29(34)14-23)43-20-24-6-4-5-11-36-24;2*1-3-41-32-18-30-28(16-22(32)15-27(40)11-10-26-8-6-14-39(26)2)33(23(19-35)20-37-30)38-24-9-12-31(29(34)17-24)42-21-25-7-4-5-13-36-25;1-2-40-31-17-29-27(15-21(31)14-26(39)10-8-23-7-5-13-35-23)32(22(18-34)19-37-29)38-24-9-11-30(28(33)16-24)41-20-25-6-3-4-12-36-25;1-35-14-4-6-23(35)9-10-24(36)15-20-7-11-27-25(16-20)29(33-19-32-27)34-21-8-12-28(26(30)17-21)37-18-22-5-2-3-13-31-22/h4-11,13-14,16,18,25,27,41H,3,12,15,19-20H2,1-2H3,(H,37,38);2*4-5,7,9-13,16-18,20,26H,3,6,8,14-15,21H2,1-2H3,(H,37,38);3-4,6,8-12,15-17,19,23,35H,2,5,7,13-14,20H2,1H3,(H,37,38);2-3,5,7-13,16-17,19,23H,4,6,14-15,18H2,1H3,(H,32,33,34)/b9-8+;2*11-10+;10-8+;10-9+/t25-,27-;2*26-;2*23-/m11000/s1.
What are the key properties of 4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-2-oxo-4-[(2S)-pyrrolidin-2-yl]but-3-enyl]quinoline-3-carbonitrile;(E)-1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-[(2S)-1-methylpyrrolidin-2-yl]but-3-en-2-one?
4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-2-oxo-4-[(2S)-pyrrolidin-2-yl]but-3-enyl]quinoline-3-carbonitrile;(E)-1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-[(2S)-1-methylpyrrolidin-2-yl]but-3-en-2-one has a molecular weight of 2844.42 g/mol, XLogP of 30.94, 53 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2S)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-2-oxo-4-[(2S)-pyrrolidin-2-yl]but-3-enyl]quinoline-3-carbonitrile;(E)-1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-[(2S)-1-methylpyrrolidin-2-yl]but-3-en-2-one is sourced from PubChem (CID 159929261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).