4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)butan-1-one;2-N-cyclopropyl-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;(1S,2S)-2-[[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]-methylamino]-1-phenylpropan-1-ol;sulfane

C105H109N23O12S3 — CID 159148882

About 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)butan-1-one;2-N-cyclopropyl-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;(1S,2S)-2-[[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]-methylamino]-1-phenylpropan-1-ol;sulfane

4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)butan-1-one;2-N-cyclopropyl-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;(1S,2S)-2-[[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]-methylamino]-1-phenylpropan-1-ol;sulfane (PubChem CID 159148882) has the molecular formula C105H109N23O12S3 and a molecular weight of 1981.38 g/mol. Its IUPAC name is 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)butan-1-one;2-N-cyclopropyl-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;(1S,2S)-2-[[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]-methylamino]-1-phenylpropan-1-ol;sulfane.

Molecular Properties

• Compound Name: 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)butan-1-one;2-N-cyclopropyl-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;(1S,2S)-2-[[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]-methylamino]-1-phenylpropan-1-ol;sulfane
• PubChem CID: 159148882
• Molecular Formula: C105H109N23O12S3
• Molecular Weight: 1981.38 g/mol
• Exact Mass: 1979.78
• IUPAC Name: 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)butan-1-one;2-N-cyclopropyl-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;(1S,2S)-2-[[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]-methylamino]-1-phenylpropan-1-ol;sulfane
• SMILES: COc1cc2nc(-c3cccc4cccnc34)nc(NCCNC(=O)c3nnc(-c4ccccc4)o3)c2cc1OC.COc1cc2nc(N(C)[C@@H](C)[C@@H](O)c3ccccc3)nc(NCCc3c[nH]c4ccccc34)c2cc1OC.COc1cc2nc(NC3CC3)nc(NCCc3c[nH]c4ccccc34)c2cc1OC.COc1cc2nc(NCCCC(=O)c3nnc(-c4ccccc4)s3)nc(N)c2cc1OC.S.S
• InChI: InChI=1S/C30H25N7O4.C30H33N5O3.C23H25N5O2.C22H22N6O3S.2H2S/c1-39-23-16-21-22(17-24(23)40-2)34-27(20-12-6-10-18-11-7-13-31-25(18)20)35-26(21)32-14-15-33-28(38)30-37-36-29(41-30)19-8-4-3-5-9-19;1-19(28(36)20-10-6-5-7-11-20)35(2)30-33-25-17-27(38-4)26(37-3)16-23(25)29(34-30)31-15-14-21-18-32-24-13-9-8-12-22(21)24;1-29-20-11-17-19(12-21(20)30-2)27-23(26-15-7-8-15)28-22(17)24-10-9-14-13-25-18-6-4-3-5-16(14)18;1-30-17-11-14-15(12-18(17)31-2)25-22(26-19(14)23)24-10-6-9-16(29)21-28-27-20(32-21)13-7-4-3-5-8-13;;/h3-13,16-17H,14-15H2,1-2H3,(H,33,38)(H,32,34,35);5-13,16-19,28,32,36H,14-15H2,1-4H3,(H,31,33,34);3-6,11-13,15,25H,7-10H2,1-2H3,(H2,24,26,27,28);3-5,7-8,11-12H,6,9-10H2,1-2H3,(H3,23,24,25,26);2*1H2/t;19-,28+;;;;/m.0..../s1
• InChIKey: KJAISRXSHYVMAX-RSYKFPKBSA-N
• XLogP: 18.50
• TPSA: 441.94 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 36
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1981.38
LogP ≤ 5	18.50
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)butan-1-one;2-N-cyclopropyl-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;(1S,2S)-2-[[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]-methylamino]-1-phenylpropan-1-ol;sulfane?

The IUPAC name of 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)butan-1-one;2-N-cyclopropyl-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;(1S,2S)-2-[[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]-methylamino]-1-phenylpropan-1-ol;sulfane (CID 159148882) is 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)butan-1-one;2-N-cyclopropyl-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;(1S,2S)-2-[[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]-methylamino]-1-phenylpropan-1-ol;sulfane.

What is the SMILES notation for 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)butan-1-one;2-N-cyclopropyl-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;(1S,2S)-2-[[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]-methylamino]-1-phenylpropan-1-ol;sulfane?

The canonical SMILES for 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)butan-1-one;2-N-cyclopropyl-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;(1S,2S)-2-[[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]-methylamino]-1-phenylpropan-1-ol;sulfane is COc1cc2nc(-c3cccc4cccnc34)nc(NCCNC(=O)c3nnc(-c4ccccc4)o3)c2cc1OC.COc1cc2nc(N(C)[C@@H](C)[C@@H](O)c3ccccc3)nc(NCCc3c[nH]c4ccccc34)c2cc1OC.COc1cc2nc(NC3CC3)nc(NCCc3c[nH]c4ccccc34)c2cc1OC.COc1cc2nc(NCCCC(=O)c3nnc(-c4ccccc4)s3)nc(N)c2cc1OC.S.S.

What is the InChIKey of 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)butan-1-one;2-N-cyclopropyl-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;(1S,2S)-2-[[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]-methylamino]-1-phenylpropan-1-ol;sulfane?

The InChIKey is KJAISRXSHYVMAX-RSYKFPKBSA-N. The full InChI is InChI=1S/C30H25N7O4.C30H33N5O3.C23H25N5O2.C22H22N6O3S.2H2S/c1-39-23-16-21-22(17-24(23)40-2)34-27(20-12-6-10-18-11-7-13-31-25(18)20)35-26(21)32-14-15-33-28(38)30-37-36-29(41-30)19-8-4-3-5-9-19;1-19(28(36)20-10-6-5-7-11-20)35(2)30-33-25-17-27(38-4)26(37-3)16-23(25)29(34-30)31-15-14-21-18-32-24-13-9-8-12-22(21)24;1-29-20-11-17-19(12-21(20)30-2)27-23(26-15-7-8-15)28-22(17)24-10-9-14-13-25-18-6-4-3-5-16(14)18;1-30-17-11-14-15(12-18(17)31-2)25-22(26-19(14)23)24-10-6-9-16(29)21-28-27-20(32-21)13-7-4-3-5-8-13;;/h3-13,16-17H,14-15H2,1-2H3,(H,33,38)(H,32,34,35);5-13,16-19,28,32,36H,14-15H2,1-4H3,(H,31,33,34);3-6,11-13,15,25H,7-10H2,1-2H3,(H2,24,26,27,28);3-5,7-8,11-12H,6,9-10H2,1-2H3,(H3,23,24,25,26);2*1H2/t;19-,28+;;;;/m.0..../s1.

What are the key properties of 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)butan-1-one;2-N-cyclopropyl-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;(1S,2S)-2-[[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]-methylamino]-1-phenylpropan-1-ol;sulfane?

4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)butan-1-one;2-N-cyclopropyl-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;(1S,2S)-2-[[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]-methylamino]-1-phenylpropan-1-ol;sulfane has a molecular weight of 1981.38 g/mol, XLogP of 18.50, 36 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)butan-1-one;2-N-cyclopropyl-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-[(6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide;(1S,2S)-2-[[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]-methylamino]-1-phenylpropan-1-ol;sulfane is sourced from PubChem (CID 159148882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).