ethyl 4-[4-[(4-methoxyquinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl 4-[4-[(4-oxo-3H-quinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl (2E,4E)-5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]penta-2,4-dienoate;ethyl 4-[4-[(2-quinolin-2-ylacetyl)amino]phenoxy]butanoate;2-[[4-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]-1,2,3,4-tetrahydroquinoline;2-[[4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]-1H-benzimidazole

C156H160N22O23 — CID 161061870

IUPACethyl 4-[4-[(4-methoxyquinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl 4-[4-[(4-oxo-3H-quinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl (2E,4E)-5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]penta-2,4-dienoate;ethyl 4-[4-[(2-quinolin-2-ylacetyl)amino]phenoxy]butanoate;2-[[4-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]-1,2,3,4-tetrahydroquinoline;2-[[4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]-1H-benzimidazole
SMILESCCOC(=O)/C=C/C=C/c1ccc(OCc2ccccc2)c(OCc2ccc3ccccc3n2)c1.CCOC(=O)CCCOc1ccc(NC(=O)Cc2ccc3ccccc3n2)cc1.CCOC(=O)CCCOc1ccc(OCc2nc(OC)c3ccccc3n2)cc1.CCOC(=O)CCCOc1ccc(OCc2nc3ccccc3c(=O)[nH]2)cc1.c1ccc2[nH]c(COc3ccc(OCCCc4ncn[nH]4)cc3)nc2c1.c1ccc2c(c1)CCC(COc1ccc(OCCCc3nn[nH]n3)cc1)N2.c1ccc2nc(COc3ccc(CCCCc4nn[nH]n4)cc3)ccc2c1
InChIInChI=1S/C30H27NO4.C23H24N2O4.C22H24N2O5.C21H21N5O.C21H22N2O5.C20H23N5O2.C19H19N5O2/c1-2-33-30(32)15-9-6-10-23-16-19-28(34-21-24-11-4-3-5-12-24)29(20-23)35-22-26-18-17-25-13-7-8-14-27(25)31-26;1-2-28-23(27)8-5-15-29-20-13-11-18(12-14-20)25-22(26)16-19-10-9-17-6-3-4-7-21(17)24-19;1-3-27-21(25)9-6-14-28-16-10-12-17(13-11-16)29-15-20-23-19-8-5-4-7-18(19)22(24-20)26-2;1(4-8-21-23-25-26-24-21)5-16-9-13-19(14-10-16)27-15-18-12-11-17-6-2-3-7-20(17)22-18;1-2-26-20(24)8-5-13-27-15-9-11-16(12-10-15)28-14-19-22-18-7-4-3-6-17(18)21(25)23-19;1-2-5-19-15(4-1)7-8-16(21-19)14-27-18-11-9-17(10-12-18)26-13-3-6-20-22-24-25-23-20;1-2-5-17-16(4-1)22-19(23-17)12-26-15-9-7-14(8-10-15)25-11-3-6-18-20-13-21-24-18/h3-20H,2,21-22H2,1H3;3-4,6-7,9-14H,2,5,8,15-16H2,1H3,(H,25,26);4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3;2-3,6-7,9-14H,1,4-5,8,15H2,(H,23,24,25,26);3-4,6-7,9-12H,2,5,8,13-14H2,1H3,(H,22,23,25);1-2,4-5,9-12,16,21H,3,6-8,13-14H2,(H,22,23,24,25);1-2,4-5,7-10,13H,3,6,11-12H2,(H,22,23)(H,20,21,24)/b10-6+,15-9+;;;;;;
InChIKeyUDMSFPJYWVYISP-KCVPNSKCSA-N
MW2711.13 g/mol
LogP28.01
Rot. Bonds62

About ethyl 4-[4-[(4-methoxyquinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl 4-[4-[(4-oxo-3H-quinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl (2E,4E)-5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]penta-2,4-dienoate;ethyl 4-[4-[(2-quinolin-2-ylacetyl)amino]phenoxy]butanoate;2-[[4-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]-1,2,3,4-tetrahydroquinoline;2-[[4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]-1H-benzimidazole

ethyl 4-[4-[(4-methoxyquinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl 4-[4-[(4-oxo-3H-quinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl (2E,4E)-5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]penta-2,4-dienoate;ethyl 4-[4-[(2-quinolin-2-ylacetyl)amino]phenoxy]butanoate;2-[[4-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]-1,2,3,4-tetrahydroquinoline;2-[[4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]-1H-benzimidazole (PubChem CID 161061870) has the molecular formula C156H160N22O23 and a molecular weight of 2711.13 g/mol. Its IUPAC name is ethyl 4-[4-[(4-methoxyquinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl 4-[4-[(4-oxo-3H-quinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl (2E,4E)-5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]penta-2,4-dienoate;ethyl 4-[4-[(2-quinolin-2-ylacetyl)amino]phenoxy]butanoate;2-[[4-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]-1,2,3,4-tetrahydroquinoline;2-[[4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]-1H-benzimidazole.

Molecular Properties

Compound Nameethyl 4-[4-[(4-methoxyquinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl 4-[4-[(4-oxo-3H-quinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl (2E,4E)-5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]penta-2,4-dienoate;ethyl 4-[4-[(2-quinolin-2-ylacetyl)amino]phenoxy]butanoate;2-[[4-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]-1,2,3,4-tetrahydroquinoline;2-[[4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]-1H-benzimidazole
PubChem CID161061870
Molecular FormulaC156H160N22O23
Molecular Weight2711.13 g/mol
Exact Mass2709.20
IUPAC Nameethyl 4-[4-[(4-methoxyquinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl 4-[4-[(4-oxo-3H-quinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl (2E,4E)-5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]penta-2,4-dienoate;ethyl 4-[4-[(2-quinolin-2-ylacetyl)amino]phenoxy]butanoate;2-[[4-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]-1,2,3,4-tetrahydroquinoline;2-[[4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]-1H-benzimidazole
SMILESCCOC(=O)/C=C/C=C/c1ccc(OCc2ccccc2)c(OCc2ccc3ccccc3n2)c1.CCOC(=O)CCCOc1ccc(NC(=O)Cc2ccc3ccccc3n2)cc1.CCOC(=O)CCCOc1ccc(OCc2nc(OC)c3ccccc3n2)cc1.CCOC(=O)CCCOc1ccc(OCc2nc3ccccc3c(=O)[nH]2)cc1.c1ccc2[nH]c(COc3ccc(OCCCc4ncn[nH]4)cc3)nc2c1.c1ccc2c(c1)CCC(COc1ccc(OCCCc3nn[nH]n3)cc1)N2.c1ccc2nc(COc3ccc(CCCCc4nn[nH]n4)cc3)ccc2c1
InChIInChI=1S/C30H27NO4.C23H24N2O4.C22H24N2O5.C21H21N5O.C21H22N2O5.C20H23N5O2.C19H19N5O2/c1-2-33-30(32)15-9-6-10-23-16-19-28(34-21-24-11-4-3-5-12-24)29(20-23)35-22-26-18-17-25-13-7-8-14-27(25)31-26;1-2-28-23(27)8-5-15-29-20-13-11-18(12-14-20)25-22(26)16-19-10-9-17-6-3-4-7-21(17)24-19;1-3-27-21(25)9-6-14-28-16-10-12-17(13-11-16)29-15-20-23-19-8-5-4-7-18(19)22(24-20)26-2;1(4-8-21-23-25-26-24-21)5-16-9-13-19(14-10-16)27-15-18-12-11-17-6-2-3-7-20(17)22-18;1-2-26-20(24)8-5-13-27-15-9-11-16(12-10-15)28-14-19-22-18-7-4-3-6-17(18)21(25)23-19;1-2-5-19-15(4-1)7-8-16(21-19)14-27-18-11-9-17(10-12-18)26-13-3-6-20-22-24-25-23-20;1-2-5-17-16(4-1)22-19(23-17)12-26-15-9-7-14(8-10-15)25-11-3-6-18-20-13-21-24-18/h3-20H,2,21-22H2,1H3;3-4,6-7,9-14H,2,5,8,15-16H2,1H3,(H,25,26);4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3;2-3,6-7,9-14H,1,4-5,8,15H2,(H,23,24,25,26);3-4,6-7,9-12H,2,5,8,13-14H2,1H3,(H,22,23,25);1-2,4-5,9-12,16,21H,3,6-8,13-14H2,(H,22,23,24,25);1-2,4-5,7-10,13H,3,6,11-12H2,(H,22,23)(H,20,21,24)/b10-6+,15-9+;;;;;;
InChIKeyUDMSFPJYWVYISP-KCVPNSKCSA-N
XLogP28.01
TPSA555.69 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds62
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002711.13
LogP ≤ 528.01
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethyl 4-[4-[(4-methoxyquinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl 4-[4-[(4-oxo-3H-quinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl (2E,4E)-5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]penta-2,4-dienoate;ethyl 4-[4-[(2-quinolin-2-ylacetyl)amino]phenoxy]butanoate;2-[[4-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]-1,2,3,4-tetrahydroquinoline;2-[[4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]-1H-benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[(4-methoxyquinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl 4-[4-[(4-oxo-3H-quinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl (2E,4E)-5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]penta-2,4-dienoate;ethyl 4-[4-[(2-quinolin-2-ylacetyl)amino]phenoxy]butanoate;2-[[4-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]-1,2,3,4-tetrahydroquinoline;2-[[4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]-1H-benzimidazole?
The IUPAC name of ethyl 4-[4-[(4-methoxyquinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl 4-[4-[(4-oxo-3H-quinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl (2E,4E)-5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]penta-2,4-dienoate;ethyl 4-[4-[(2-quinolin-2-ylacetyl)amino]phenoxy]butanoate;2-[[4-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]-1,2,3,4-tetrahydroquinoline;2-[[4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]-1H-benzimidazole (CID 161061870) is ethyl 4-[4-[(4-methoxyquinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl 4-[4-[(4-oxo-3H-quinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl (2E,4E)-5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]penta-2,4-dienoate;ethyl 4-[4-[(2-quinolin-2-ylacetyl)amino]phenoxy]butanoate;2-[[4-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]-1,2,3,4-tetrahydroquinoline;2-[[4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]-1H-benzimidazole.
What is the SMILES notation for ethyl 4-[4-[(4-methoxyquinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl 4-[4-[(4-oxo-3H-quinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl (2E,4E)-5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]penta-2,4-dienoate;ethyl 4-[4-[(2-quinolin-2-ylacetyl)amino]phenoxy]butanoate;2-[[4-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]-1,2,3,4-tetrahydroquinoline;2-[[4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]-1H-benzimidazole?
The canonical SMILES for ethyl 4-[4-[(4-methoxyquinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl 4-[4-[(4-oxo-3H-quinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl (2E,4E)-5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]penta-2,4-dienoate;ethyl 4-[4-[(2-quinolin-2-ylacetyl)amino]phenoxy]butanoate;2-[[4-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]-1,2,3,4-tetrahydroquinoline;2-[[4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]-1H-benzimidazole is CCOC(=O)/C=C/C=C/c1ccc(OCc2ccccc2)c(OCc2ccc3ccccc3n2)c1.CCOC(=O)CCCOc1ccc(NC(=O)Cc2ccc3ccccc3n2)cc1.CCOC(=O)CCCOc1ccc(OCc2nc(OC)c3ccccc3n2)cc1.CCOC(=O)CCCOc1ccc(OCc2nc3ccccc3c(=O)[nH]2)cc1.c1ccc2[nH]c(COc3ccc(OCCCc4ncn[nH]4)cc3)nc2c1.c1ccc2c(c1)CCC(COc1ccc(OCCCc3nn[nH]n3)cc1)N2.c1ccc2nc(COc3ccc(CCCCc4nn[nH]n4)cc3)ccc2c1.
What is the InChIKey of ethyl 4-[4-[(4-methoxyquinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl 4-[4-[(4-oxo-3H-quinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl (2E,4E)-5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]penta-2,4-dienoate;ethyl 4-[4-[(2-quinolin-2-ylacetyl)amino]phenoxy]butanoate;2-[[4-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]-1,2,3,4-tetrahydroquinoline;2-[[4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]-1H-benzimidazole?
The InChIKey is UDMSFPJYWVYISP-KCVPNSKCSA-N. The full InChI is InChI=1S/C30H27NO4.C23H24N2O4.C22H24N2O5.C21H21N5O.C21H22N2O5.C20H23N5O2.C19H19N5O2/c1-2-33-30(32)15-9-6-10-23-16-19-28(34-21-24-11-4-3-5-12-24)29(20-23)35-22-26-18-17-25-13-7-8-14-27(25)31-26;1-2-28-23(27)8-5-15-29-20-13-11-18(12-14-20)25-22(26)16-19-10-9-17-6-3-4-7-21(17)24-19;1-3-27-21(25)9-6-14-28-16-10-12-17(13-11-16)29-15-20-23-19-8-5-4-7-18(19)22(24-20)26-2;1(4-8-21-23-25-26-24-21)5-16-9-13-19(14-10-16)27-15-18-12-11-17-6-2-3-7-20(17)22-18;1-2-26-20(24)8-5-13-27-15-9-11-16(12-10-15)28-14-19-22-18-7-4-3-6-17(18)21(25)23-19;1-2-5-19-15(4-1)7-8-16(21-19)14-27-18-11-9-17(10-12-18)26-13-3-6-20-22-24-25-23-20;1-2-5-17-16(4-1)22-19(23-17)12-26-15-9-7-14(8-10-15)25-11-3-6-18-20-13-21-24-18/h3-20H,2,21-22H2,1H3;3-4,6-7,9-14H,2,5,8,15-16H2,1H3,(H,25,26);4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3;2-3,6-7,9-14H,1,4-5,8,15H2,(H,23,24,25,26);3-4,6-7,9-12H,2,5,8,13-14H2,1H3,(H,22,23,25);1-2,4-5,9-12,16,21H,3,6-8,13-14H2,(H,22,23,24,25);1-2,4-5,7-10,13H,3,6,11-12H2,(H,22,23)(H,20,21,24)/b10-6+,15-9+;;;;;;.
What are the key properties of ethyl 4-[4-[(4-methoxyquinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl 4-[4-[(4-oxo-3H-quinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl (2E,4E)-5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]penta-2,4-dienoate;ethyl 4-[4-[(2-quinolin-2-ylacetyl)amino]phenoxy]butanoate;2-[[4-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]-1,2,3,4-tetrahydroquinoline;2-[[4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]-1H-benzimidazole?
ethyl 4-[4-[(4-methoxyquinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl 4-[4-[(4-oxo-3H-quinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl (2E,4E)-5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]penta-2,4-dienoate;ethyl 4-[4-[(2-quinolin-2-ylacetyl)amino]phenoxy]butanoate;2-[[4-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]-1,2,3,4-tetrahydroquinoline;2-[[4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]-1H-benzimidazole has a molecular weight of 2711.13 g/mol, XLogP of 28.01, 62 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[(4-methoxyquinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl 4-[4-[(4-oxo-3H-quinazolin-2-yl)methoxy]phenoxy]butanoate;ethyl (2E,4E)-5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]penta-2,4-dienoate;ethyl 4-[4-[(2-quinolin-2-ylacetyl)amino]phenoxy]butanoate;2-[[4-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]-1,2,3,4-tetrahydroquinoline;2-[[4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]-1H-benzimidazole is sourced from PubChem (CID 161061870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).