(E)-1-[4-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-1-methylpyrrolidin-2-yl]but-3-en-2-one;(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-pyrrolidin-2-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2S)-pyrrolidin-2-yl]but-3-en-2-one;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine

C161H142ClN47O11 — CID 160571001

IUPAC(E)-1-[4-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-1-methylpyrrolidin-2-yl]but-3-en-2-one;(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-pyrrolidin-2-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2S)-pyrrolidin-2-yl]but-3-en-2-one;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine
SMILESC=CC(=O)Cc1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1.CN1CCC[C@@H]1/C=C/C(=O)Cc1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(Cl)c3)c2c1.Cc1cc(Nc2ncnc3ccc(-n4cccc4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)/C=C/[C@@H]4CCCN4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)/C=C/[C@H]4CCCN4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)/C=C/[C@H]4CCCN4C)cc23)ccc1Oc1cc2nncn2cn1
InChIInChI=1S/C29H28N8O2.C28H25ClN8O2.2C28H26N8O2.C24H18N8O.C24H19N7O2/c1-19-12-21(6-10-26(19)39-28-15-27-35-33-18-37(27)17-32-28)34-29-24-14-20(5-9-25(24)30-16-31-29)13-23(38)8-7-22-4-3-11-36(22)2;1-36-10-2-3-20(36)6-7-21(38)11-18-4-8-24-22(12-18)28(31-15-30-24)34-19-5-9-25(23(29)13-19)39-27-14-26-35-33-17-37(26)16-32-27;2*1-18-11-21(6-9-25(18)38-27-14-26-35-33-17-36(26)16-32-27)34-28-23-13-19(4-8-24(23)30-15-31-28)12-22(37)7-5-20-3-2-10-29-20;1-16-10-17(4-7-21(16)33-23-12-22-30-28-15-32(22)14-27-23)29-24-19-11-18(31-8-2-3-9-31)5-6-20(19)25-13-26-24;1-3-18(32)9-16-4-6-20-19(10-16)24(26-12-25-20)29-17-5-7-21(15(2)8-17)33-23-11-22-30-28-14-31(22)13-27-23/h5-10,12,14-18,22H,3-4,11,13H2,1-2H3,(H,30,31,34);4-9,12-17,20H,2-3,10-11H2,1H3,(H,30,31,34);2*4-9,11,13-17,20,29H,2-3,10,12H2,1H3,(H,30,31,34);2-15H,1H3,(H,25,26,29);3-8,10-14H,1,9H2,2H3,(H,25,26,29)/b8-7+;7-6+;2*7-5+;;/t22-;3*20-;;/m1110../s1
InChIKeyRANXGLMIQYUTHU-PXJUKMSGSA-N
MW2946.68 g/mol
LogP27.27
Rot. Bonds44

About (E)-1-[4-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-1-methylpyrrolidin-2-yl]but-3-en-2-one;(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-pyrrolidin-2-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2S)-pyrrolidin-2-yl]but-3-en-2-one;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine

(E)-1-[4-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-1-methylpyrrolidin-2-yl]but-3-en-2-one;(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-pyrrolidin-2-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2S)-pyrrolidin-2-yl]but-3-en-2-one;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine (PubChem CID 160571001) has the molecular formula C161H142ClN47O11 and a molecular weight of 2946.68 g/mol. Its IUPAC name is (E)-1-[4-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-1-methylpyrrolidin-2-yl]but-3-en-2-one;(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-pyrrolidin-2-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2S)-pyrrolidin-2-yl]but-3-en-2-one;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine.

Molecular Properties

Compound Name(E)-1-[4-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-1-methylpyrrolidin-2-yl]but-3-en-2-one;(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-pyrrolidin-2-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2S)-pyrrolidin-2-yl]but-3-en-2-one;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine
PubChem CID160571001
Molecular FormulaC161H142ClN47O11
Molecular Weight2946.68 g/mol
Exact Mass2944.17
IUPAC Name(E)-1-[4-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-1-methylpyrrolidin-2-yl]but-3-en-2-one;(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-pyrrolidin-2-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2S)-pyrrolidin-2-yl]but-3-en-2-one;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine
SMILESC=CC(=O)Cc1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1.CN1CCC[C@@H]1/C=C/C(=O)Cc1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(Cl)c3)c2c1.Cc1cc(Nc2ncnc3ccc(-n4cccc4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)/C=C/[C@@H]4CCCN4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)/C=C/[C@H]4CCCN4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)/C=C/[C@H]4CCCN4C)cc23)ccc1Oc1cc2nncn2cn1
InChIInChI=1S/C29H28N8O2.C28H25ClN8O2.2C28H26N8O2.C24H18N8O.C24H19N7O2/c1-19-12-21(6-10-26(19)39-28-15-27-35-33-18-37(27)17-32-28)34-29-24-14-20(5-9-25(24)30-16-31-29)13-23(38)8-7-22-4-3-11-36(22)2;1-36-10-2-3-20(36)6-7-21(38)11-18-4-8-24-22(12-18)28(31-15-30-24)34-19-5-9-25(23(29)13-19)39-27-14-26-35-33-17-37(26)16-32-27;2*1-18-11-21(6-9-25(18)38-27-14-26-35-33-17-36(26)16-32-27)34-28-23-13-19(4-8-24(23)30-15-31-28)12-22(37)7-5-20-3-2-10-29-20;1-16-10-17(4-7-21(16)33-23-12-22-30-28-15-32(22)14-27-23)29-24-19-11-18(31-8-2-3-9-31)5-6-20(19)25-13-26-24;1-3-18(32)9-16-4-6-20-19(10-16)24(26-12-25-20)29-17-5-7-21(15(2)8-17)33-23-11-22-30-28-14-31(22)13-27-23/h5-10,12,14-18,22H,3-4,11,13H2,1-2H3,(H,30,31,34);4-9,12-17,20H,2-3,10-11H2,1H3,(H,30,31,34);2*4-9,11,13-17,20,29H,2-3,10,12H2,1H3,(H,30,31,34);2-15H,1H3,(H,25,26,29);3-8,10-14H,1,9H2,2H3,(H,25,26,29)/b8-7+;7-6+;2*7-5+;;/t22-;3*20-;;/m1110../s1
InChIKeyRANXGLMIQYUTHU-PXJUKMSGSA-N
XLogP27.27
TPSA661.54 Ų
H-Bond Donors8
H-Bond Acceptors58
Rotatable Bonds44
Heavy Atoms220
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002946.68
LogP ≤ 527.27
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

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

Analyze (E)-1-[4-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-1-methylpyrrolidin-2-yl]but-3-en-2-one;(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-pyrrolidin-2-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2S)-pyrrolidin-2-yl]but-3-en-2-one;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-1-methylpyrrolidin-2-yl]but-3-en-2-one;(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-pyrrolidin-2-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2S)-pyrrolidin-2-yl]but-3-en-2-one;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine?
The IUPAC name of (E)-1-[4-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-1-methylpyrrolidin-2-yl]but-3-en-2-one;(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-pyrrolidin-2-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2S)-pyrrolidin-2-yl]but-3-en-2-one;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine (CID 160571001) is (E)-1-[4-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-1-methylpyrrolidin-2-yl]but-3-en-2-one;(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-pyrrolidin-2-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2S)-pyrrolidin-2-yl]but-3-en-2-one;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine.
What is the SMILES notation for (E)-1-[4-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-1-methylpyrrolidin-2-yl]but-3-en-2-one;(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-pyrrolidin-2-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2S)-pyrrolidin-2-yl]but-3-en-2-one;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine?
The canonical SMILES for (E)-1-[4-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-1-methylpyrrolidin-2-yl]but-3-en-2-one;(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-pyrrolidin-2-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2S)-pyrrolidin-2-yl]but-3-en-2-one;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine is C=CC(=O)Cc1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1.CN1CCC[C@@H]1/C=C/C(=O)Cc1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(Cl)c3)c2c1.Cc1cc(Nc2ncnc3ccc(-n4cccc4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)/C=C/[C@@H]4CCCN4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)/C=C/[C@H]4CCCN4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)/C=C/[C@H]4CCCN4C)cc23)ccc1Oc1cc2nncn2cn1.
What is the InChIKey of (E)-1-[4-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-1-methylpyrrolidin-2-yl]but-3-en-2-one;(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-pyrrolidin-2-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2S)-pyrrolidin-2-yl]but-3-en-2-one;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine?
The InChIKey is RANXGLMIQYUTHU-PXJUKMSGSA-N. The full InChI is InChI=1S/C29H28N8O2.C28H25ClN8O2.2C28H26N8O2.C24H18N8O.C24H19N7O2/c1-19-12-21(6-10-26(19)39-28-15-27-35-33-18-37(27)17-32-28)34-29-24-14-20(5-9-25(24)30-16-31-29)13-23(38)8-7-22-4-3-11-36(22)2;1-36-10-2-3-20(36)6-7-21(38)11-18-4-8-24-22(12-18)28(31-15-30-24)34-19-5-9-25(23(29)13-19)39-27-14-26-35-33-17-37(26)16-32-27;2*1-18-11-21(6-9-25(18)38-27-14-26-35-33-17-36(26)16-32-27)34-28-23-13-19(4-8-24(23)30-15-31-28)12-22(37)7-5-20-3-2-10-29-20;1-16-10-17(4-7-21(16)33-23-12-22-30-28-15-32(22)14-27-23)29-24-19-11-18(31-8-2-3-9-31)5-6-20(19)25-13-26-24;1-3-18(32)9-16-4-6-20-19(10-16)24(26-12-25-20)29-17-5-7-21(15(2)8-17)33-23-11-22-30-28-14-31(22)13-27-23/h5-10,12,14-18,22H,3-4,11,13H2,1-2H3,(H,30,31,34);4-9,12-17,20H,2-3,10-11H2,1H3,(H,30,31,34);2*4-9,11,13-17,20,29H,2-3,10,12H2,1H3,(H,30,31,34);2-15H,1H3,(H,25,26,29);3-8,10-14H,1,9H2,2H3,(H,25,26,29)/b8-7+;7-6+;2*7-5+;;/t22-;3*20-;;/m1110../s1.
What are the key properties of (E)-1-[4-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-1-methylpyrrolidin-2-yl]but-3-en-2-one;(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-pyrrolidin-2-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2S)-pyrrolidin-2-yl]but-3-en-2-one;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine?
(E)-1-[4-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-1-methylpyrrolidin-2-yl]but-3-en-2-one;(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-pyrrolidin-2-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2S)-pyrrolidin-2-yl]but-3-en-2-one;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine has a molecular weight of 2946.68 g/mol, XLogP of 27.27, 44 rotatable bonds, 8 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-1-methylpyrrolidin-2-yl]but-3-en-2-one;(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-pyrrolidin-2-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2S)-pyrrolidin-2-yl]but-3-en-2-one;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine is sourced from PubChem (CID 160571001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).