6,7-dimethoxy-4-[4-[4-(3-methylphenoxy)butylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[2-(3-methylphenoxy)ethylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylsulfanyl]phenoxy]quinazoline;bis(4-[4-[4-(2-fluorophenoxy)butylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline);4-[4-[3-(2-fluorophenoxy)propylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline

C155H151F3N12O24S6 — CID 159983734

IUPAC6,7-dimethoxy-4-[4-[4-(3-methylphenoxy)butylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[2-(3-methylphenoxy)ethylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylsulfanyl]phenoxy]quinazoline;bis(4-[4-[4-(2-fluorophenoxy)butylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline);4-[4-[3-(2-fluorophenoxy)propylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(Oc3ccc(SCCCCOc4cccc(C)c4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(SCCCCOc4ccccc4F)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(SCCCCOc4ccccc4F)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(SCCCOc4cccc(C)c4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(SCCCOc4ccccc4F)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(SCCOc4cccc(C)c4)cc3)c2cc1OC
InChIInChI=1S/C27H28N2O4S.2C26H25FN2O4S.C26H26N2O4S.C25H23FN2O4S.C25H24N2O4S/c1-19-7-6-8-21(15-19)32-13-4-5-14-34-22-11-9-20(10-12-22)33-27-23-16-25(30-2)26(31-3)17-24(23)28-18-29-27;2*1-30-24-15-20-22(16-25(24)31-2)28-17-29-26(20)33-18-9-11-19(12-10-18)34-14-6-5-13-32-23-8-4-3-7-21(23)27;1-18-6-4-7-20(14-18)31-12-5-13-33-21-10-8-19(9-11-21)32-26-22-15-24(29-2)25(30-3)16-23(22)27-17-28-26;1-29-23-14-19-21(15-24(23)30-2)27-16-28-25(19)32-17-8-10-18(11-9-17)33-13-5-12-31-22-7-4-3-6-20(22)26;1-17-5-4-6-19(13-17)30-11-12-32-20-9-7-18(8-10-20)31-25-21-14-23(28-2)24(29-3)15-22(21)26-16-27-25/h6-12,15-18H,4-5,13-14H2,1-3H3;2*3-4,7-12,15-17H,5-6,13-14H2,1-2H3;4,6-11,14-17H,5,12-13H2,1-3H3;3-4,6-11,14-16H,5,12-13H2,1-2H3;4-10,13-16H,11-12H2,1-3H3
InChIKeyOGBJUGNOQKJRLA-UHFFFAOYSA-N
MW2815.37 g/mol
LogP38.13
Rot. Bonds62

About 6,7-dimethoxy-4-[4-[4-(3-methylphenoxy)butylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[2-(3-methylphenoxy)ethylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylsulfanyl]phenoxy]quinazoline;bis(4-[4-[4-(2-fluorophenoxy)butylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline);4-[4-[3-(2-fluorophenoxy)propylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline

6,7-dimethoxy-4-[4-[4-(3-methylphenoxy)butylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[2-(3-methylphenoxy)ethylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylsulfanyl]phenoxy]quinazoline;bis(4-[4-[4-(2-fluorophenoxy)butylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline);4-[4-[3-(2-fluorophenoxy)propylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline (PubChem CID 159983734) has the molecular formula C155H151F3N12O24S6 and a molecular weight of 2815.37 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[4-[4-(3-methylphenoxy)butylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[2-(3-methylphenoxy)ethylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylsulfanyl]phenoxy]quinazoline;bis(4-[4-[4-(2-fluorophenoxy)butylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline);4-[4-[3-(2-fluorophenoxy)propylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[4-[4-(3-methylphenoxy)butylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[2-(3-methylphenoxy)ethylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylsulfanyl]phenoxy]quinazoline;bis(4-[4-[4-(2-fluorophenoxy)butylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline);4-[4-[3-(2-fluorophenoxy)propylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline
PubChem CID159983734
Molecular FormulaC155H151F3N12O24S6
Molecular Weight2815.37 g/mol
Exact Mass2812.92
IUPAC Name6,7-dimethoxy-4-[4-[4-(3-methylphenoxy)butylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[2-(3-methylphenoxy)ethylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylsulfanyl]phenoxy]quinazoline;bis(4-[4-[4-(2-fluorophenoxy)butylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline);4-[4-[3-(2-fluorophenoxy)propylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(Oc3ccc(SCCCCOc4cccc(C)c4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(SCCCCOc4ccccc4F)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(SCCCCOc4ccccc4F)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(SCCCOc4cccc(C)c4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(SCCCOc4ccccc4F)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(SCCOc4cccc(C)c4)cc3)c2cc1OC
InChIInChI=1S/C27H28N2O4S.2C26H25FN2O4S.C26H26N2O4S.C25H23FN2O4S.C25H24N2O4S/c1-19-7-6-8-21(15-19)32-13-4-5-14-34-22-11-9-20(10-12-22)33-27-23-16-25(30-2)26(31-3)17-24(23)28-18-29-27;2*1-30-24-15-20-22(16-25(24)31-2)28-17-29-26(20)33-18-9-11-19(12-10-18)34-14-6-5-13-32-23-8-4-3-7-21(23)27;1-18-6-4-7-20(14-18)31-12-5-13-33-21-10-8-19(9-11-21)32-26-22-15-24(29-2)25(30-3)16-23(22)27-17-28-26;1-29-23-14-19-21(15-24(23)30-2)27-16-28-25(19)32-17-8-10-18(11-9-17)33-13-5-12-31-22-7-4-3-6-20(22)26;1-17-5-4-6-19(13-17)30-11-12-32-20-9-7-18(8-10-20)31-25-21-14-23(28-2)24(29-3)15-22(21)26-16-27-25/h6-12,15-18H,4-5,13-14H2,1-3H3;2*3-4,7-12,15-17H,5-6,13-14H2,1-2H3;4,6-11,14-17H,5,12-13H2,1-3H3;3-4,6-11,14-16H,5,12-13H2,1-2H3;4-10,13-16H,11-12H2,1-3H3
InChIKeyOGBJUGNOQKJRLA-UHFFFAOYSA-N
XLogP38.13
TPSA376.20 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds62
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002815.37
LogP ≤ 538.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 6,7-dimethoxy-4-[4-[4-(3-methylphenoxy)butylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[2-(3-methylphenoxy)ethylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylsulfanyl]phenoxy]quinazoline;bis(4-[4-[4-(2-fluorophenoxy)butylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline);4-[4-[3-(2-fluorophenoxy)propylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[4-[4-(3-methylphenoxy)butylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[2-(3-methylphenoxy)ethylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylsulfanyl]phenoxy]quinazoline;bis(4-[4-[4-(2-fluorophenoxy)butylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline);4-[4-[3-(2-fluorophenoxy)propylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline?
The IUPAC name of 6,7-dimethoxy-4-[4-[4-(3-methylphenoxy)butylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[2-(3-methylphenoxy)ethylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylsulfanyl]phenoxy]quinazoline;bis(4-[4-[4-(2-fluorophenoxy)butylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline);4-[4-[3-(2-fluorophenoxy)propylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline (CID 159983734) is 6,7-dimethoxy-4-[4-[4-(3-methylphenoxy)butylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[2-(3-methylphenoxy)ethylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylsulfanyl]phenoxy]quinazoline;bis(4-[4-[4-(2-fluorophenoxy)butylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline);4-[4-[3-(2-fluorophenoxy)propylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline.
What is the SMILES notation for 6,7-dimethoxy-4-[4-[4-(3-methylphenoxy)butylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[2-(3-methylphenoxy)ethylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylsulfanyl]phenoxy]quinazoline;bis(4-[4-[4-(2-fluorophenoxy)butylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline);4-[4-[3-(2-fluorophenoxy)propylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline?
The canonical SMILES for 6,7-dimethoxy-4-[4-[4-(3-methylphenoxy)butylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[2-(3-methylphenoxy)ethylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylsulfanyl]phenoxy]quinazoline;bis(4-[4-[4-(2-fluorophenoxy)butylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline);4-[4-[3-(2-fluorophenoxy)propylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline is COc1cc2ncnc(Oc3ccc(SCCCCOc4cccc(C)c4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(SCCCCOc4ccccc4F)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(SCCCCOc4ccccc4F)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(SCCCOc4cccc(C)c4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(SCCCOc4ccccc4F)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(SCCOc4cccc(C)c4)cc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-[4-[4-(3-methylphenoxy)butylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[2-(3-methylphenoxy)ethylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylsulfanyl]phenoxy]quinazoline;bis(4-[4-[4-(2-fluorophenoxy)butylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline);4-[4-[3-(2-fluorophenoxy)propylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline?
The InChIKey is OGBJUGNOQKJRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4S.2C26H25FN2O4S.C26H26N2O4S.C25H23FN2O4S.C25H24N2O4S/c1-19-7-6-8-21(15-19)32-13-4-5-14-34-22-11-9-20(10-12-22)33-27-23-16-25(30-2)26(31-3)17-24(23)28-18-29-27;2*1-30-24-15-20-22(16-25(24)31-2)28-17-29-26(20)33-18-9-11-19(12-10-18)34-14-6-5-13-32-23-8-4-3-7-21(23)27;1-18-6-4-7-20(14-18)31-12-5-13-33-21-10-8-19(9-11-21)32-26-22-15-24(29-2)25(30-3)16-23(22)27-17-28-26;1-29-23-14-19-21(15-24(23)30-2)27-16-28-25(19)32-17-8-10-18(11-9-17)33-13-5-12-31-22-7-4-3-6-20(22)26;1-17-5-4-6-19(13-17)30-11-12-32-20-9-7-18(8-10-20)31-25-21-14-23(28-2)24(29-3)15-22(21)26-16-27-25/h6-12,15-18H,4-5,13-14H2,1-3H3;2*3-4,7-12,15-17H,5-6,13-14H2,1-2H3;4,6-11,14-17H,5,12-13H2,1-3H3;3-4,6-11,14-16H,5,12-13H2,1-2H3;4-10,13-16H,11-12H2,1-3H3.
What are the key properties of 6,7-dimethoxy-4-[4-[4-(3-methylphenoxy)butylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[2-(3-methylphenoxy)ethylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylsulfanyl]phenoxy]quinazoline;bis(4-[4-[4-(2-fluorophenoxy)butylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline);4-[4-[3-(2-fluorophenoxy)propylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline?
6,7-dimethoxy-4-[4-[4-(3-methylphenoxy)butylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[2-(3-methylphenoxy)ethylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylsulfanyl]phenoxy]quinazoline;bis(4-[4-[4-(2-fluorophenoxy)butylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline);4-[4-[3-(2-fluorophenoxy)propylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline has a molecular weight of 2815.37 g/mol, XLogP of 38.13, 62 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[4-[4-(3-methylphenoxy)butylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[2-(3-methylphenoxy)ethylsulfanyl]phenoxy]quinazoline;6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylsulfanyl]phenoxy]quinazoline;bis(4-[4-[4-(2-fluorophenoxy)butylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline);4-[4-[3-(2-fluorophenoxy)propylsulfanyl]phenoxy]-6,7-dimethoxyquinazoline is sourced from PubChem (CID 159983734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).