6,7-dimethoxy-4-[4-(methylsulfonylmethyl)-1,3-dihydroisoindol-2-yl]quinazoline;N-[2-(6,7-dimethoxyquinazolin-4-yl)-1,3-dihydroisoindol-5-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)furan-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)-1,3-thiazol-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)thiophen-2-yl]methanesulfonamide

C83H85N17O21S7 — CID 161063934

About 6,7-dimethoxy-4-[4-(methylsulfonylmethyl)-1,3-dihydroisoindol-2-yl]quinazoline;N-[2-(6,7-dimethoxyquinazolin-4-yl)-1,3-dihydroisoindol-5-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)furan-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)-1,3-thiazol-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)thiophen-2-yl]methanesulfonamide

6,7-dimethoxy-4-[4-(methylsulfonylmethyl)-1,3-dihydroisoindol-2-yl]quinazoline;N-[2-(6,7-dimethoxyquinazolin-4-yl)-1,3-dihydroisoindol-5-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)furan-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)-1,3-thiazol-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)thiophen-2-yl]methanesulfonamide (PubChem CID 161063934) has the molecular formula C83H85N17O21S7 and a molecular weight of 1881.16 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[4-(methylsulfonylmethyl)-1,3-dihydroisoindol-2-yl]quinazoline;N-[2-(6,7-dimethoxyquinazolin-4-yl)-1,3-dihydroisoindol-5-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)furan-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)-1,3-thiazol-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)thiophen-2-yl]methanesulfonamide.

Molecular Properties

• Compound Name: 6,7-dimethoxy-4-[4-(methylsulfonylmethyl)-1,3-dihydroisoindol-2-yl]quinazoline;N-[2-(6,7-dimethoxyquinazolin-4-yl)-1,3-dihydroisoindol-5-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)furan-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)-1,3-thiazol-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)thiophen-2-yl]methanesulfonamide
• PubChem CID: 161063934
• Molecular Formula: C83H85N17O21S7
• Molecular Weight: 1881.16 g/mol
• Exact Mass: 1879.42
• IUPAC Name: 6,7-dimethoxy-4-[4-(methylsulfonylmethyl)-1,3-dihydroisoindol-2-yl]quinazoline;N-[2-(6,7-dimethoxyquinazolin-4-yl)-1,3-dihydroisoindol-5-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)furan-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)-1,3-thiazol-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)thiophen-2-yl]methanesulfonamide
• SMILES: COc1cc2ncnc(-c3ccc(NS(C)(=O)=O)o3)c2cc1OC.COc1cc2ncnc(-c3ccc(NS(C)(=O)=O)s3)c2cc1OC.COc1cc2ncnc(-c3cnc(NS(C)(=O)=O)s3)c2cc1OC.COc1cc2ncnc(N3Cc4ccc(NS(C)(=O)=O)cc4C3)c2cc1OC.COc1cc2ncnc(N3Cc4cccc(CS(C)(=O)=O)c4C3)c2cc1OC
• InChI: InChI=1S/C20H21N3O4S.C19H20N4O4S.C15H15N3O5S.C15H15N3O4S2.C14H14N4O4S2/c1-26-18-7-15-17(8-19(18)27-2)21-12-22-20(15)23-9-13-5-4-6-14(16(13)10-23)11-28(3,24)25;1-26-17-7-15-16(8-18(17)27-2)20-11-21-19(15)23-9-12-4-5-14(6-13(12)10-23)22-28(3,24)25;1-21-12-6-9-10(7-13(12)22-2)16-8-17-15(9)11-4-5-14(23-11)18-24(3,19)20;1-21-11-6-9-10(7-12(11)22-2)16-8-17-15(9)13-4-5-14(23-13)18-24(3,19)20;1-21-10-4-8-9(5-11(10)22-2)16-7-17-13(8)12-6-15-14(23-12)18-24(3,19)20/h4-8,12H,9-11H2,1-3H3;4-8,11,22H,9-10H2,1-3H3;2*4-8,18H,1-3H3;4-7H,1-3H3,(H,15,18)
• InChIKey: UDTLJBBKAZUASD-UHFFFAOYSA-N
• XLogP: 12.42
• TPSA: 472.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 25
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1881.16
LogP ≤ 5	12.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[4-(methylsulfonylmethyl)-1,3-dihydroisoindol-2-yl]quinazoline;N-[2-(6,7-dimethoxyquinazolin-4-yl)-1,3-dihydroisoindol-5-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)furan-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)-1,3-thiazol-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)thiophen-2-yl]methanesulfonamide?

The IUPAC name of 6,7-dimethoxy-4-[4-(methylsulfonylmethyl)-1,3-dihydroisoindol-2-yl]quinazoline;N-[2-(6,7-dimethoxyquinazolin-4-yl)-1,3-dihydroisoindol-5-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)furan-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)-1,3-thiazol-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)thiophen-2-yl]methanesulfonamide (CID 161063934) is 6,7-dimethoxy-4-[4-(methylsulfonylmethyl)-1,3-dihydroisoindol-2-yl]quinazoline;N-[2-(6,7-dimethoxyquinazolin-4-yl)-1,3-dihydroisoindol-5-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)furan-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)-1,3-thiazol-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)thiophen-2-yl]methanesulfonamide.

What is the SMILES notation for 6,7-dimethoxy-4-[4-(methylsulfonylmethyl)-1,3-dihydroisoindol-2-yl]quinazoline;N-[2-(6,7-dimethoxyquinazolin-4-yl)-1,3-dihydroisoindol-5-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)furan-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)-1,3-thiazol-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)thiophen-2-yl]methanesulfonamide?

The canonical SMILES for 6,7-dimethoxy-4-[4-(methylsulfonylmethyl)-1,3-dihydroisoindol-2-yl]quinazoline;N-[2-(6,7-dimethoxyquinazolin-4-yl)-1,3-dihydroisoindol-5-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)furan-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)-1,3-thiazol-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)thiophen-2-yl]methanesulfonamide is COc1cc2ncnc(-c3ccc(NS(C)(=O)=O)o3)c2cc1OC.COc1cc2ncnc(-c3ccc(NS(C)(=O)=O)s3)c2cc1OC.COc1cc2ncnc(-c3cnc(NS(C)(=O)=O)s3)c2cc1OC.COc1cc2ncnc(N3Cc4ccc(NS(C)(=O)=O)cc4C3)c2cc1OC.COc1cc2ncnc(N3Cc4cccc(CS(C)(=O)=O)c4C3)c2cc1OC.

What is the InChIKey of 6,7-dimethoxy-4-[4-(methylsulfonylmethyl)-1,3-dihydroisoindol-2-yl]quinazoline;N-[2-(6,7-dimethoxyquinazolin-4-yl)-1,3-dihydroisoindol-5-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)furan-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)-1,3-thiazol-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)thiophen-2-yl]methanesulfonamide?

The InChIKey is UDTLJBBKAZUASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S.C19H20N4O4S.C15H15N3O5S.C15H15N3O4S2.C14H14N4O4S2/c1-26-18-7-15-17(8-19(18)27-2)21-12-22-20(15)23-9-13-5-4-6-14(16(13)10-23)11-28(3,24)25;1-26-17-7-15-16(8-18(17)27-2)20-11-21-19(15)23-9-12-4-5-14(6-13(12)10-23)22-28(3,24)25;1-21-12-6-9-10(7-13(12)22-2)16-8-17-15(9)11-4-5-14(23-11)18-24(3,19)20;1-21-11-6-9-10(7-12(11)22-2)16-8-17-15(9)13-4-5-14(23-13)18-24(3,19)20;1-21-10-4-8-9(5-11(10)22-2)16-7-17-13(8)12-6-15-14(23-12)18-24(3,19)20/h4-8,12H,9-11H2,1-3H3;4-8,11,22H,9-10H2,1-3H3;2*4-8,18H,1-3H3;4-7H,1-3H3,(H,15,18).

What are the key properties of 6,7-dimethoxy-4-[4-(methylsulfonylmethyl)-1,3-dihydroisoindol-2-yl]quinazoline;N-[2-(6,7-dimethoxyquinazolin-4-yl)-1,3-dihydroisoindol-5-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)furan-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)-1,3-thiazol-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)thiophen-2-yl]methanesulfonamide?

6,7-dimethoxy-4-[4-(methylsulfonylmethyl)-1,3-dihydroisoindol-2-yl]quinazoline;N-[2-(6,7-dimethoxyquinazolin-4-yl)-1,3-dihydroisoindol-5-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)furan-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)-1,3-thiazol-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)thiophen-2-yl]methanesulfonamide has a molecular weight of 1881.16 g/mol, XLogP of 12.42, 25 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethoxy-4-[4-(methylsulfonylmethyl)-1,3-dihydroisoindol-2-yl]quinazoline;N-[2-(6,7-dimethoxyquinazolin-4-yl)-1,3-dihydroisoindol-5-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)furan-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)-1,3-thiazol-2-yl]methanesulfonamide;N-[5-(6,7-dimethoxyquinazolin-4-yl)thiophen-2-yl]methanesulfonamide is sourced from PubChem (CID 161063934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).