2-(4,4-difluoropiperidin-1-yl)-4-[(1,1-dioxothian-4-yl)amino]-6-methoxyquinazolin-7-ol;1-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)piperidin-2-amine;4-[[4-(dimethylamino)cyclohexyl]amino]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile;6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(4-methylpiperazin-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

C116H169F2N27O14S — CID 163996661

About 2-(4,4-difluoropiperidin-1-yl)-4-[(1,1-dioxothian-4-yl)amino]-6-methoxyquinazolin-7-ol;1-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)piperidin-2-amine;4-[[4-(dimethylamino)cyclohexyl]amino]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile;6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(4-methylpiperazin-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

2-(4,4-difluoropiperidin-1-yl)-4-[(1,1-dioxothian-4-yl)amino]-6-methoxyquinazolin-7-ol;1-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)piperidin-2-amine;4-[[4-(dimethylamino)cyclohexyl]amino]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile;6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(4-methylpiperazin-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (PubChem CID 163996661) has the molecular formula C116H169F2N27O14S and a molecular weight of 2235.87 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-4-[(1,1-dioxothian-4-yl)amino]-6-methoxyquinazolin-7-ol;1-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)piperidin-2-amine;4-[[4-(dimethylamino)cyclohexyl]amino]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile;6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(4-methylpiperazin-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine.

Molecular Properties

• Compound Name: 2-(4,4-difluoropiperidin-1-yl)-4-[(1,1-dioxothian-4-yl)amino]-6-methoxyquinazolin-7-ol;1-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)piperidin-2-amine;4-[[4-(dimethylamino)cyclohexyl]amino]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile;6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(4-methylpiperazin-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
• PubChem CID: 163996661
• Molecular Formula: C116H169F2N27O14S
• Molecular Weight: 2235.87 g/mol
• Exact Mass: 2234.30
• IUPAC Name: 2-(4,4-difluoropiperidin-1-yl)-4-[(1,1-dioxothian-4-yl)amino]-6-methoxyquinazolin-7-ol;1-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)piperidin-2-amine;4-[[4-(dimethylamino)cyclohexyl]amino]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile;6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(4-methylpiperazin-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
• SMILES: COc1cc2c(NC3CCC(N(C)C)CC3)nc(C#N)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCOCC3)nc(N3CCCN(C)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCOCC3)nc(N3CCN(C)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCS(=O)(=O)CC3)nc(N3CCC(F)(F)CC3)nc2cc1O.COc1cc2nc(N3CCCC3)nc(N3CCCCC3N)c2cc1OC
• InChI: InChI=1S/C27H42N6O3.C26H40N6O3.C25H36N6O2.C19H24F2N4O4S.C19H27N5O2/c1-31-9-5-13-33(15-14-31)27-29-23-20-25(36-16-6-12-32-10-3-4-11-32)24(34-2)19-22(23)26(30-27)28-21-7-17-35-18-8-21;1-30-11-13-32(14-12-30)26-28-22-19-24(35-15-5-10-31-8-3-4-9-31)23(33-2)18-21(22)25(29-26)27-20-6-16-34-17-7-20;1-30(2)19-9-7-18(8-10-19)27-25-20-15-22(32-3)23(16-21(20)28-24(17-26)29-25)33-14-6-13-31-11-4-5-12-31;1-29-16-10-13-14(11-15(16)26)23-18(25-6-4-19(20,21)5-7-25)24-17(13)22-12-2-8-30(27,28)9-3-12;1-25-15-11-13-14(12-16(15)26-2)21-19(23-8-5-6-9-23)22-18(13)24-10-4-3-7-17(24)20/h19-21H,3-18H2,1-2H3,(H,28,29,30);18-20H,3-17H2,1-2H3,(H,27,28,29);15-16,18-19H,4-14H2,1-3H3,(H,27,28,29);10-12,26H,2-9H2,1H3,(H,22,23,24);11-12,17H,3-10,20H2,1-2H3
• InChIKey: UFGWUULLIIATNL-UHFFFAOYSA-N
• XLogP: 14.83
• TPSA: 418.37 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 35
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2235.87
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-4-[(1,1-dioxothian-4-yl)amino]-6-methoxyquinazolin-7-ol;1-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)piperidin-2-amine;4-[[4-(dimethylamino)cyclohexyl]amino]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile;6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(4-methylpiperazin-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?

The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-4-[(1,1-dioxothian-4-yl)amino]-6-methoxyquinazolin-7-ol;1-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)piperidin-2-amine;4-[[4-(dimethylamino)cyclohexyl]amino]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile;6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(4-methylpiperazin-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (CID 163996661) is 2-(4,4-difluoropiperidin-1-yl)-4-[(1,1-dioxothian-4-yl)amino]-6-methoxyquinazolin-7-ol;1-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)piperidin-2-amine;4-[[4-(dimethylamino)cyclohexyl]amino]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile;6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(4-methylpiperazin-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine.

What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-4-[(1,1-dioxothian-4-yl)amino]-6-methoxyquinazolin-7-ol;1-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)piperidin-2-amine;4-[[4-(dimethylamino)cyclohexyl]amino]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile;6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(4-methylpiperazin-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?

The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-4-[(1,1-dioxothian-4-yl)amino]-6-methoxyquinazolin-7-ol;1-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)piperidin-2-amine;4-[[4-(dimethylamino)cyclohexyl]amino]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile;6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(4-methylpiperazin-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is COc1cc2c(NC3CCC(N(C)C)CC3)nc(C#N)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCOCC3)nc(N3CCCN(C)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCOCC3)nc(N3CCN(C)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCS(=O)(=O)CC3)nc(N3CCC(F)(F)CC3)nc2cc1O.COc1cc2nc(N3CCCC3)nc(N3CCCCC3N)c2cc1OC.

What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-4-[(1,1-dioxothian-4-yl)amino]-6-methoxyquinazolin-7-ol;1-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)piperidin-2-amine;4-[[4-(dimethylamino)cyclohexyl]amino]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile;6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(4-methylpiperazin-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?

The InChIKey is UFGWUULLIIATNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N6O3.C26H40N6O3.C25H36N6O2.C19H24F2N4O4S.C19H27N5O2/c1-31-9-5-13-33(15-14-31)27-29-23-20-25(36-16-6-12-32-10-3-4-11-32)24(34-2)19-22(23)26(30-27)28-21-7-17-35-18-8-21;1-30-11-13-32(14-12-30)26-28-22-19-24(35-15-5-10-31-8-3-4-9-31)23(33-2)18-21(22)25(29-26)27-20-6-16-34-17-7-20;1-30(2)19-9-7-18(8-10-19)27-25-20-15-22(32-3)23(16-21(20)28-24(17-26)29-25)33-14-6-13-31-11-4-5-12-31;1-29-16-10-13-14(11-15(16)26)23-18(25-6-4-19(20,21)5-7-25)24-17(13)22-12-2-8-30(27,28)9-3-12;1-25-15-11-13-14(12-16(15)26-2)21-19(23-8-5-6-9-23)22-18(13)24-10-4-3-7-17(24)20/h19-21H,3-18H2,1-2H3,(H,28,29,30);18-20H,3-17H2,1-2H3,(H,27,28,29);15-16,18-19H,4-14H2,1-3H3,(H,27,28,29);10-12,26H,2-9H2,1H3,(H,22,23,24);11-12,17H,3-10,20H2,1-2H3.

What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-4-[(1,1-dioxothian-4-yl)amino]-6-methoxyquinazolin-7-ol;1-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)piperidin-2-amine;4-[[4-(dimethylamino)cyclohexyl]amino]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile;6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(4-methylpiperazin-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?

2-(4,4-difluoropiperidin-1-yl)-4-[(1,1-dioxothian-4-yl)amino]-6-methoxyquinazolin-7-ol;1-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)piperidin-2-amine;4-[[4-(dimethylamino)cyclohexyl]amino]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile;6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(4-methylpiperazin-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine has a molecular weight of 2235.87 g/mol, XLogP of 14.83, 35 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,4-difluoropiperidin-1-yl)-4-[(1,1-dioxothian-4-yl)amino]-6-methoxyquinazolin-7-ol;1-(6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-yl)piperidin-2-amine;4-[[4-(dimethylamino)cyclohexyl]amino]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile;6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(4-methylpiperazin-1-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 163996661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).