6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-methylsulfanylquinazolin-7-ol;tert-butyl 4-[6-bromo-2-(3-methoxyanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;N-(3-methoxyphenyl)-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-(3-methoxyphenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

C116H142Br4ClN21O15S4 — CID 158488805

IUPAC6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-methylsulfanylquinazolin-7-ol;tert-butyl 4-[6-bromo-2-(3-methoxyanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;N-(3-methoxyphenyl)-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-(3-methoxyphenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESC.C.C.C.C.C.C.CC(C)(C)OC(=O)N1CCC(Oc2cc3nc(S(C)(=O)=O)ncc3cc2Br)CC1.COc1cc2nc(Cl)ncc2cc1Br.COc1cccc(Nc2ncc3cc(-c4nccs4)c(OC4CCN(C)CC4)cc3n2)c1.COc1cccc(Nc2ncc3cc(-c4nccs4)c(OC4CCNCC4)cc3n2)c1.COc1cccc(Nc2ncc3cc(Br)c(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3n2)c1.CSc1ncc2cc(Br)c(O)cc2n1
InChIInChI=1S/C25H29BrN4O4.C24H25N5O2S.C23H23N5O2S.C19H24BrN3O5S.C9H6BrClN2O.C9H7BrN2OS.7CH4/c1-25(2,3)34-24(31)30-10-8-18(9-11-30)33-22-14-21-16(12-20(22)26)15-27-23(29-21)28-17-6-5-7-19(13-17)32-4;1-29-9-6-18(7-10-29)31-22-14-21-16(12-20(22)23-25-8-11-32-23)15-26-24(28-21)27-17-4-3-5-19(13-17)30-2;1-29-18-4-2-3-16(12-18)27-23-26-14-15-11-19(22-25-9-10-31-22)21(13-20(15)28-23)30-17-5-7-24-8-6-17;1-19(2,3)28-18(24)23-7-5-13(6-8-23)27-16-10-15-12(9-14(16)20)11-21-17(22-15)29(4,25)26;1-14-8-3-7-5(2-6(8)10)4-12-9(11)13-7;1-14-9-11-4-5-2-6(10)8(13)3-7(5)12-9;;;;;;;/h5-7,12-15,18H,8-11H2,1-4H3,(H,27,28,29);3-5,8,11-15,18H,6-7,9-10H2,1-2H3,(H,26,27,28);2-4,9-14,17,24H,5-8H2,1H3,(H,26,27,28);9-11,13H,5-8H2,1-4H3;2-4H,1H3;2-4,13H,1H3;7*1H4
InChIKeyHILBGLNTATXYBJ-UHFFFAOYSA-N
MW2553.88 g/mol
LogP29.44
Rot. Bonds22

About 6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-methylsulfanylquinazolin-7-ol;tert-butyl 4-[6-bromo-2-(3-methoxyanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;N-(3-methoxyphenyl)-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-(3-methoxyphenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-methylsulfanylquinazolin-7-ol;tert-butyl 4-[6-bromo-2-(3-methoxyanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;N-(3-methoxyphenyl)-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-(3-methoxyphenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (PubChem CID 158488805) has the molecular formula C116H142Br4ClN21O15S4 and a molecular weight of 2553.88 g/mol. Its IUPAC name is 6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-methylsulfanylquinazolin-7-ol;tert-butyl 4-[6-bromo-2-(3-methoxyanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;N-(3-methoxyphenyl)-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-(3-methoxyphenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-methylsulfanylquinazolin-7-ol;tert-butyl 4-[6-bromo-2-(3-methoxyanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;N-(3-methoxyphenyl)-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-(3-methoxyphenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
PubChem CID158488805
Molecular FormulaC116H142Br4ClN21O15S4
Molecular Weight2553.88 g/mol
Exact Mass2547.63
IUPAC Name6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-methylsulfanylquinazolin-7-ol;tert-butyl 4-[6-bromo-2-(3-methoxyanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;N-(3-methoxyphenyl)-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-(3-methoxyphenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESC.C.C.C.C.C.C.CC(C)(C)OC(=O)N1CCC(Oc2cc3nc(S(C)(=O)=O)ncc3cc2Br)CC1.COc1cc2nc(Cl)ncc2cc1Br.COc1cccc(Nc2ncc3cc(-c4nccs4)c(OC4CCN(C)CC4)cc3n2)c1.COc1cccc(Nc2ncc3cc(-c4nccs4)c(OC4CCNCC4)cc3n2)c1.COc1cccc(Nc2ncc3cc(Br)c(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3n2)c1.CSc1ncc2cc(Br)c(O)cc2n1
InChIInChI=1S/C25H29BrN4O4.C24H25N5O2S.C23H23N5O2S.C19H24BrN3O5S.C9H6BrClN2O.C9H7BrN2OS.7CH4/c1-25(2,3)34-24(31)30-10-8-18(9-11-30)33-22-14-21-16(12-20(22)26)15-27-23(29-21)28-17-6-5-7-19(13-17)32-4;1-29-9-6-18(7-10-29)31-22-14-21-16(12-20(22)23-25-8-11-32-23)15-26-24(28-21)27-17-4-3-5-19(13-17)30-2;1-29-18-4-2-3-16(12-18)27-23-26-14-15-11-19(22-25-9-10-31-22)21(13-20(15)28-23)30-17-5-7-24-8-6-17;1-19(2,3)28-18(24)23-7-5-13(6-8-23)27-16-10-15-12(9-14(16)20)11-21-17(22-15)29(4,25)26;1-14-8-3-7-5(2-6(8)10)4-12-9(11)13-7;1-14-9-11-4-5-2-6(10)8(13)3-7(5)12-9;;;;;;;/h5-7,12-15,18H,8-11H2,1-4H3,(H,27,28,29);3-5,8,11-15,18H,6-7,9-10H2,1-2H3,(H,26,27,28);2-4,9-14,17,24H,5-8H2,1H3,(H,26,27,28);9-11,13H,5-8H2,1-4H3;2-4H,1H3;2-4,13H,1H3;7*1H4
InChIKeyHILBGLNTATXYBJ-UHFFFAOYSA-N
XLogP29.44
TPSA419.11 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds22
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002553.88
LogP ≤ 529.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Analyze 6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-methylsulfanylquinazolin-7-ol;tert-butyl 4-[6-bromo-2-(3-methoxyanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;N-(3-methoxyphenyl)-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-(3-methoxyphenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-methylsulfanylquinazolin-7-ol;tert-butyl 4-[6-bromo-2-(3-methoxyanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;N-(3-methoxyphenyl)-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-(3-methoxyphenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The IUPAC name of 6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-methylsulfanylquinazolin-7-ol;tert-butyl 4-[6-bromo-2-(3-methoxyanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;N-(3-methoxyphenyl)-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-(3-methoxyphenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (CID 158488805) is 6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-methylsulfanylquinazolin-7-ol;tert-butyl 4-[6-bromo-2-(3-methoxyanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;N-(3-methoxyphenyl)-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-(3-methoxyphenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.
What is the SMILES notation for 6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-methylsulfanylquinazolin-7-ol;tert-butyl 4-[6-bromo-2-(3-methoxyanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;N-(3-methoxyphenyl)-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-(3-methoxyphenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The canonical SMILES for 6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-methylsulfanylquinazolin-7-ol;tert-butyl 4-[6-bromo-2-(3-methoxyanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;N-(3-methoxyphenyl)-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-(3-methoxyphenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is C.C.C.C.C.C.C.CC(C)(C)OC(=O)N1CCC(Oc2cc3nc(S(C)(=O)=O)ncc3cc2Br)CC1.COc1cc2nc(Cl)ncc2cc1Br.COc1cccc(Nc2ncc3cc(-c4nccs4)c(OC4CCN(C)CC4)cc3n2)c1.COc1cccc(Nc2ncc3cc(-c4nccs4)c(OC4CCNCC4)cc3n2)c1.COc1cccc(Nc2ncc3cc(Br)c(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3n2)c1.CSc1ncc2cc(Br)c(O)cc2n1.
What is the InChIKey of 6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-methylsulfanylquinazolin-7-ol;tert-butyl 4-[6-bromo-2-(3-methoxyanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;N-(3-methoxyphenyl)-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-(3-methoxyphenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The InChIKey is HILBGLNTATXYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrN4O4.C24H25N5O2S.C23H23N5O2S.C19H24BrN3O5S.C9H6BrClN2O.C9H7BrN2OS.7CH4/c1-25(2,3)34-24(31)30-10-8-18(9-11-30)33-22-14-21-16(12-20(22)26)15-27-23(29-21)28-17-6-5-7-19(13-17)32-4;1-29-9-6-18(7-10-29)31-22-14-21-16(12-20(22)23-25-8-11-32-23)15-26-24(28-21)27-17-4-3-5-19(13-17)30-2;1-29-18-4-2-3-16(12-18)27-23-26-14-15-11-19(22-25-9-10-31-22)21(13-20(15)28-23)30-17-5-7-24-8-6-17;1-19(2,3)28-18(24)23-7-5-13(6-8-23)27-16-10-15-12(9-14(16)20)11-21-17(22-15)29(4,25)26;1-14-8-3-7-5(2-6(8)10)4-12-9(11)13-7;1-14-9-11-4-5-2-6(10)8(13)3-7(5)12-9;;;;;;;/h5-7,12-15,18H,8-11H2,1-4H3,(H,27,28,29);3-5,8,11-15,18H,6-7,9-10H2,1-2H3,(H,26,27,28);2-4,9-14,17,24H,5-8H2,1H3,(H,26,27,28);9-11,13H,5-8H2,1-4H3;2-4H,1H3;2-4,13H,1H3;7*1H4.
What are the key properties of 6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-methylsulfanylquinazolin-7-ol;tert-butyl 4-[6-bromo-2-(3-methoxyanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;N-(3-methoxyphenyl)-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-(3-methoxyphenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-methylsulfanylquinazolin-7-ol;tert-butyl 4-[6-bromo-2-(3-methoxyanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;N-(3-methoxyphenyl)-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-(3-methoxyphenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine has a molecular weight of 2553.88 g/mol, XLogP of 29.44, 22 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-methylsulfanylquinazolin-7-ol;tert-butyl 4-[6-bromo-2-(3-methoxyanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;N-(3-methoxyphenyl)-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-(3-methoxyphenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is sourced from PubChem (CID 158488805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).