2-[4-[4-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]butoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[2-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]ethoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[6-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]hexoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[5-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]pentoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[3-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]propoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one

C190H210N10O45 — CID 157095574

IUPAC2-[4-[4-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]butoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[2-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]ethoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[6-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]hexoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[5-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]pentoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[3-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]propoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one
SMILESCOc1cc(/C=C\c2cc(OC)c(OCCCCCCOc3ccc(C4NC(=O)c5ccccc5N4)cc3CO)c(OC)c2)cc(CO)c1CO.COc1cc(/C=C\c2cc(OC)c(OCCCCCOc3ccc(C4NC(=O)c5ccccc5N4)cc3CO)c(OC)c2)cc(CO)c1CO.COc1cc(/C=C\c2cc(OC)c(OCCCCOc3ccc(C4NC(=O)c5ccccc5N4)cc3CO)c(OC)c2)cc(CO)c1CO.COc1cc(/C=C\c2cc(OC)c(OCCCOc3ccc(C4NC(=O)c5ccccc5N4)cc3CO)c(OC)c2)cc(CO)c1CO.COc1cc(/C=C\c2cc(OC)c(OCCOc3ccc(C4NC(=O)c5ccccc5N4)cc3CO)c(OC)c2)cc(CO)c1CO
InChIInChI=1S/C40H46N2O9.C39H44N2O9.C38H42N2O9.C37H40N2O9.C36H38N2O9/c1-47-35-19-26(18-29(23-43)32(35)25-45)12-13-27-20-36(48-2)38(37(21-27)49-3)51-17-9-5-4-8-16-50-34-15-14-28(22-30(34)24-44)39-41-33-11-7-6-10-31(33)40(46)42-39;1-46-34-18-25(17-28(22-42)31(34)24-44)11-12-26-19-35(47-2)37(36(20-26)48-3)50-16-8-4-7-15-49-33-14-13-27(21-29(33)23-43)38-40-32-10-6-5-9-30(32)39(45)41-38;1-45-33-17-24(16-27(21-41)30(33)23-43)10-11-25-18-34(46-2)36(35(19-25)47-3)49-15-7-6-14-48-32-13-12-26(20-28(32)22-42)37-39-31-9-5-4-8-29(31)38(44)40-37;1-44-32-16-23(15-26(20-40)29(32)22-42)9-10-24-17-33(45-2)35(34(18-24)46-3)48-14-6-13-47-31-12-11-25(19-27(31)21-41)36-38-30-8-5-4-7-28(30)37(43)39-36;1-43-31-15-22(14-25(19-39)28(31)21-41)8-9-23-16-32(44-2)34(33(17-23)45-3)47-13-12-46-30-11-10-24(18-26(30)20-40)35-37-29-7-5-4-6-27(29)36(42)38-35/h6-7,10-15,18-22,39,41,43-45H,4-5,8-9,16-17,23-25H2,1-3H3,(H,42,46);5-6,9-14,17-21,38,40,42-44H,4,7-8,15-16,22-24H2,1-3H3,(H,41,45);4-5,8-13,16-20,37,39,41-43H,6-7,14-15,21-23H2,1-3H3,(H,40,44);4-5,7-12,15-19,36,38,40-42H,6,13-14,20-22H2,1-3H3,(H,39,43);4-11,14-18,35,37,39-41H,12-13,19-21H2,1-3H3,(H,38,42)/b13-12-;12-11-;11-10-;10-9-;9-8-
InChIKeyAFEBVXVLXVGTOY-FLWZTFGJSA-N
MW3353.79 g/mol
LogP27.26
Rot. Bonds80

About 2-[4-[4-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]butoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[2-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]ethoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[6-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]hexoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[5-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]pentoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[3-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]propoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one

2-[4-[4-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]butoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[2-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]ethoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[6-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]hexoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[5-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]pentoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[3-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]propoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 157095574) has the molecular formula C190H210N10O45 and a molecular weight of 3353.79 g/mol. Its IUPAC name is 2-[4-[4-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]butoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[2-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]ethoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[6-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]hexoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[5-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]pentoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[3-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]propoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-[4-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]butoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[2-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]ethoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[6-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]hexoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[5-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]pentoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[3-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]propoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one
PubChem CID157095574
Molecular FormulaC190H210N10O45
Molecular Weight3353.79 g/mol
Exact Mass3351.45
IUPAC Name2-[4-[4-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]butoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[2-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]ethoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[6-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]hexoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[5-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]pentoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[3-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]propoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one
SMILESCOc1cc(/C=C\c2cc(OC)c(OCCCCCCOc3ccc(C4NC(=O)c5ccccc5N4)cc3CO)c(OC)c2)cc(CO)c1CO.COc1cc(/C=C\c2cc(OC)c(OCCCCCOc3ccc(C4NC(=O)c5ccccc5N4)cc3CO)c(OC)c2)cc(CO)c1CO.COc1cc(/C=C\c2cc(OC)c(OCCCCOc3ccc(C4NC(=O)c5ccccc5N4)cc3CO)c(OC)c2)cc(CO)c1CO.COc1cc(/C=C\c2cc(OC)c(OCCCOc3ccc(C4NC(=O)c5ccccc5N4)cc3CO)c(OC)c2)cc(CO)c1CO.COc1cc(/C=C\c2cc(OC)c(OCCOc3ccc(C4NC(=O)c5ccccc5N4)cc3CO)c(OC)c2)cc(CO)c1CO
InChIInChI=1S/C40H46N2O9.C39H44N2O9.C38H42N2O9.C37H40N2O9.C36H38N2O9/c1-47-35-19-26(18-29(23-43)32(35)25-45)12-13-27-20-36(48-2)38(37(21-27)49-3)51-17-9-5-4-8-16-50-34-15-14-28(22-30(34)24-44)39-41-33-11-7-6-10-31(33)40(46)42-39;1-46-34-18-25(17-28(22-42)31(34)24-44)11-12-26-19-35(47-2)37(36(20-26)48-3)50-16-8-4-7-15-49-33-14-13-27(21-29(33)23-43)38-40-32-10-6-5-9-30(32)39(45)41-38;1-45-33-17-24(16-27(21-41)30(33)23-43)10-11-25-18-34(46-2)36(35(19-25)47-3)49-15-7-6-14-48-32-13-12-26(20-28(32)22-42)37-39-31-9-5-4-8-29(31)38(44)40-37;1-44-32-16-23(15-26(20-40)29(32)22-42)9-10-24-17-33(45-2)35(34(18-24)46-3)48-14-6-13-47-31-12-11-25(19-27(31)21-41)36-38-30-8-5-4-7-28(30)37(43)39-36;1-43-31-15-22(14-25(19-39)28(31)21-41)8-9-23-16-32(44-2)34(33(17-23)45-3)47-13-12-46-30-11-10-24(18-26(30)20-40)35-37-29-7-5-4-6-27(29)36(42)38-35/h6-7,10-15,18-22,39,41,43-45H,4-5,8-9,16-17,23-25H2,1-3H3,(H,42,46);5-6,9-14,17-21,38,40,42-44H,4,7-8,15-16,22-24H2,1-3H3,(H,41,45);4-5,8-13,16-20,37,39,41-43H,6-7,14-15,21-23H2,1-3H3,(H,40,44);4-5,7-12,15-19,36,38,40-42H,6,13-14,20-22H2,1-3H3,(H,39,43);4-11,14-18,35,37,39-41H,12-13,19-21H2,1-3H3,(H,38,42)/b13-12-;12-11-;11-10-;10-9-;9-8-
InChIKeyAFEBVXVLXVGTOY-FLWZTFGJSA-N
XLogP27.26
TPSA739.85 Ų
H-Bond Donors25
H-Bond Acceptors50
Rotatable Bonds80
Heavy Atoms245
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003353.79
LogP ≤ 527.26
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

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

Analyze 2-[4-[4-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]butoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[2-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]ethoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[6-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]hexoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[5-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]pentoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[3-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]propoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]butoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[2-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]ethoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[6-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]hexoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[5-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]pentoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[3-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]propoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-[4-[4-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]butoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[2-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]ethoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[6-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]hexoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[5-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]pentoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[3-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]propoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one (CID 157095574) is 2-[4-[4-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]butoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[2-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]ethoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[6-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]hexoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[5-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]pentoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[3-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]propoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-[4-[4-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]butoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[2-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]ethoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[6-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]hexoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[5-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]pentoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[3-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]propoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-[4-[4-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]butoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[2-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]ethoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[6-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]hexoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[5-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]pentoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[3-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]propoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one is COc1cc(/C=C\c2cc(OC)c(OCCCCCCOc3ccc(C4NC(=O)c5ccccc5N4)cc3CO)c(OC)c2)cc(CO)c1CO.COc1cc(/C=C\c2cc(OC)c(OCCCCCOc3ccc(C4NC(=O)c5ccccc5N4)cc3CO)c(OC)c2)cc(CO)c1CO.COc1cc(/C=C\c2cc(OC)c(OCCCCOc3ccc(C4NC(=O)c5ccccc5N4)cc3CO)c(OC)c2)cc(CO)c1CO.COc1cc(/C=C\c2cc(OC)c(OCCCOc3ccc(C4NC(=O)c5ccccc5N4)cc3CO)c(OC)c2)cc(CO)c1CO.COc1cc(/C=C\c2cc(OC)c(OCCOc3ccc(C4NC(=O)c5ccccc5N4)cc3CO)c(OC)c2)cc(CO)c1CO.
What is the InChIKey of 2-[4-[4-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]butoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[2-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]ethoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[6-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]hexoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[5-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]pentoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[3-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]propoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is AFEBVXVLXVGTOY-FLWZTFGJSA-N. The full InChI is InChI=1S/C40H46N2O9.C39H44N2O9.C38H42N2O9.C37H40N2O9.C36H38N2O9/c1-47-35-19-26(18-29(23-43)32(35)25-45)12-13-27-20-36(48-2)38(37(21-27)49-3)51-17-9-5-4-8-16-50-34-15-14-28(22-30(34)24-44)39-41-33-11-7-6-10-31(33)40(46)42-39;1-46-34-18-25(17-28(22-42)31(34)24-44)11-12-26-19-35(47-2)37(36(20-26)48-3)50-16-8-4-7-15-49-33-14-13-27(21-29(33)23-43)38-40-32-10-6-5-9-30(32)39(45)41-38;1-45-33-17-24(16-27(21-41)30(33)23-43)10-11-25-18-34(46-2)36(35(19-25)47-3)49-15-7-6-14-48-32-13-12-26(20-28(32)22-42)37-39-31-9-5-4-8-29(31)38(44)40-37;1-44-32-16-23(15-26(20-40)29(32)22-42)9-10-24-17-33(45-2)35(34(18-24)46-3)48-14-6-13-47-31-12-11-25(19-27(31)21-41)36-38-30-8-5-4-7-28(30)37(43)39-36;1-43-31-15-22(14-25(19-39)28(31)21-41)8-9-23-16-32(44-2)34(33(17-23)45-3)47-13-12-46-30-11-10-24(18-26(30)20-40)35-37-29-7-5-4-6-27(29)36(42)38-35/h6-7,10-15,18-22,39,41,43-45H,4-5,8-9,16-17,23-25H2,1-3H3,(H,42,46);5-6,9-14,17-21,38,40,42-44H,4,7-8,15-16,22-24H2,1-3H3,(H,41,45);4-5,8-13,16-20,37,39,41-43H,6-7,14-15,21-23H2,1-3H3,(H,40,44);4-5,7-12,15-19,36,38,40-42H,6,13-14,20-22H2,1-3H3,(H,39,43);4-11,14-18,35,37,39-41H,12-13,19-21H2,1-3H3,(H,38,42)/b13-12-;12-11-;11-10-;10-9-;9-8-.
What are the key properties of 2-[4-[4-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]butoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[2-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]ethoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[6-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]hexoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[5-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]pentoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[3-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]propoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one?
2-[4-[4-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]butoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[2-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]ethoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[6-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]hexoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[5-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]pentoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[3-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]propoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 3353.79 g/mol, XLogP of 27.26, 80 rotatable bonds, 25 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]butoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[2-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]ethoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[6-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]hexoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[5-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]pentoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one;2-[4-[3-[4-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]propoxy]-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 157095574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).