bis(4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one);2-N,4-N-bis[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;[4-[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;methyl 3-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)azetidin-3-yl]methylsulfonyl]-1H-indole-6-carboxylate;hydrochloride

C130H134ClN29O19S — CID 160616549

About bis(4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one);2-N,4-N-bis[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;[4-[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;methyl 3-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)azetidin-3-yl]methylsulfonyl]-1H-indole-6-carboxylate;hydrochloride

bis(4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one);2-N,4-N-bis[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;[4-[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;methyl 3-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)azetidin-3-yl]methylsulfonyl]-1H-indole-6-carboxylate;hydrochloride (PubChem CID 160616549) has the molecular formula C130H134ClN29O19S and a molecular weight of 2474.21 g/mol. Its IUPAC name is bis(4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one);2-N,4-N-bis[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;[4-[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;methyl 3-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)azetidin-3-yl]methylsulfonyl]-1H-indole-6-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: bis(4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one);2-N,4-N-bis[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;[4-[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;methyl 3-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)azetidin-3-yl]methylsulfonyl]-1H-indole-6-carboxylate;hydrochloride
• PubChem CID: 160616549
• Molecular Formula: C130H134ClN29O19S
• Molecular Weight: 2474.21 g/mol
• Exact Mass: 2471.98
• IUPAC Name: bis(4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one);2-N,4-N-bis[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;[4-[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;methyl 3-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)azetidin-3-yl]methylsulfonyl]-1H-indole-6-carboxylate;hydrochloride
• SMILES: COC(=O)c1ccc2c(S(=O)(=O)CC3CN(c4nc(N)c5cc(OC)c(OC)cc5n4)C3)c[nH]c2c1.COc1cc2nc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)nc(NCCc3c[nH]c4ccccc34)c2cc1OC.COc1cc2nc(NCCCC(=O)c3nnc(-c4ccccc4)o3)nc(N)c2cc1OC.COc1cc2nc(NCCCC(=O)c3nnc(-c4ccccc4)o3)nc(N)c2cc1OC.COc1cc2nc(NCCc3c[nH]c4ccccc34)nc(NCCc3c[nH]c4ccccc34)c2cc1OC.Cl
• InChI: InChI=1S/C32H34N6O3.C30H30N6O2.C24H25N5O6S.2C22H22N6O4.ClH/c1-37-14-16-38(17-15-37)32(39)22-10-8-21(9-11-22)30-35-27-19-29(41-3)28(40-2)18-25(27)31(36-30)33-13-12-23-20-34-26-7-5-4-6-24(23)26;1-37-27-15-23-26(16-28(27)38-2)35-30(32-14-12-20-18-34-25-10-6-4-8-22(20)25)36-29(23)31-13-11-19-17-33-24-9-5-3-7-21(19)24;1-33-19-7-16-18(8-20(19)34-2)27-24(28-22(16)25)29-10-13(11-29)12-36(31,32)21-9-26-17-6-14(23(30)35-3)4-5-15(17)21;2*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;/h4-11,18-20,34H,12-17H2,1-3H3,(H,33,35,36);3-10,15-18,33-34H,11-14H2,1-2H3,(H2,31,32,35,36);4-9,13,26H,10-12H2,1-3H3,(H2,25,27,28);2*3-5,7-8,11-12H,6,9-10H2,1-2H3,(H3,23,24,25,26);1H
• InChIKey: NDUNFACULYESLZ-UHFFFAOYSA-N
• XLogP: 20.29
• TPSA: 621.78 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 43
• Rotatable Bonds: 43
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2474.21
LogP ≤ 5	20.29
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one);2-N,4-N-bis[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;[4-[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;methyl 3-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)azetidin-3-yl]methylsulfonyl]-1H-indole-6-carboxylate;hydrochloride?

The IUPAC name of bis(4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one);2-N,4-N-bis[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;[4-[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;methyl 3-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)azetidin-3-yl]methylsulfonyl]-1H-indole-6-carboxylate;hydrochloride (CID 160616549) is bis(4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one);2-N,4-N-bis[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;[4-[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;methyl 3-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)azetidin-3-yl]methylsulfonyl]-1H-indole-6-carboxylate;hydrochloride.

What is the SMILES notation for bis(4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one);2-N,4-N-bis[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;[4-[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;methyl 3-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)azetidin-3-yl]methylsulfonyl]-1H-indole-6-carboxylate;hydrochloride?

The canonical SMILES for bis(4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one);2-N,4-N-bis[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;[4-[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;methyl 3-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)azetidin-3-yl]methylsulfonyl]-1H-indole-6-carboxylate;hydrochloride is COC(=O)c1ccc2c(S(=O)(=O)CC3CN(c4nc(N)c5cc(OC)c(OC)cc5n4)C3)c[nH]c2c1.COc1cc2nc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)nc(NCCc3c[nH]c4ccccc34)c2cc1OC.COc1cc2nc(NCCCC(=O)c3nnc(-c4ccccc4)o3)nc(N)c2cc1OC.COc1cc2nc(NCCCC(=O)c3nnc(-c4ccccc4)o3)nc(N)c2cc1OC.COc1cc2nc(NCCc3c[nH]c4ccccc34)nc(NCCc3c[nH]c4ccccc34)c2cc1OC.Cl.

What is the InChIKey of bis(4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one);2-N,4-N-bis[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;[4-[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;methyl 3-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)azetidin-3-yl]methylsulfonyl]-1H-indole-6-carboxylate;hydrochloride?

The InChIKey is NDUNFACULYESLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O3.C30H30N6O2.C24H25N5O6S.2C22H22N6O4.ClH/c1-37-14-16-38(17-15-37)32(39)22-10-8-21(9-11-22)30-35-27-19-29(41-3)28(40-2)18-25(27)31(36-30)33-13-12-23-20-34-26-7-5-4-6-24(23)26;1-37-27-15-23-26(16-28(27)38-2)35-30(32-14-12-20-18-34-25-10-6-4-8-22(20)25)36-29(23)31-13-11-19-17-33-24-9-5-3-7-21(19)24;1-33-19-7-16-18(8-20(19)34-2)27-24(28-22(16)25)29-10-13(11-29)12-36(31,32)21-9-26-17-6-14(23(30)35-3)4-5-15(17)21;2*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;/h4-11,18-20,34H,12-17H2,1-3H3,(H,33,35,36);3-10,15-18,33-34H,11-14H2,1-2H3,(H2,31,32,35,36);4-9,13,26H,10-12H2,1-3H3,(H2,25,27,28);2*3-5,7-8,11-12H,6,9-10H2,1-2H3,(H3,23,24,25,26);1H.

What are the key properties of bis(4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one);2-N,4-N-bis[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;[4-[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;methyl 3-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)azetidin-3-yl]methylsulfonyl]-1H-indole-6-carboxylate;hydrochloride?

bis(4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one);2-N,4-N-bis[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;[4-[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;methyl 3-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)azetidin-3-yl]methylsulfonyl]-1H-indole-6-carboxylate;hydrochloride has a molecular weight of 2474.21 g/mol, XLogP of 20.29, 43 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one);2-N,4-N-bis[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;[4-[4-[2-(1H-indol-3-yl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;methyl 3-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)azetidin-3-yl]methylsulfonyl]-1H-indole-6-carboxylate;hydrochloride is sourced from PubChem (CID 160616549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).