N-[4-(1,3-benzothiazol-5-yloxy)-3-methylphenyl]-6-ethoxyquinazolin-4-amine;ethyl 4-[4-[4-(1,3-benzothiazol-5-yloxy)-3-methylanilino]quinazolin-6-yl]oxypiperidine-1-carboxylate;[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl] 4-methylbenzenesulfonate;N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]morpholine-4-carboxamide;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide

C140H128N28O16S3 — CID 158853799

About N-[4-(1,3-benzothiazol-5-yloxy)-3-methylphenyl]-6-ethoxyquinazolin-4-amine;ethyl 4-[4-[4-(1,3-benzothiazol-5-yloxy)-3-methylanilino]quinazolin-6-yl]oxypiperidine-1-carboxylate;[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl] 4-methylbenzenesulfonate;N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]morpholine-4-carboxamide;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide

N-[4-(1,3-benzothiazol-5-yloxy)-3-methylphenyl]-6-ethoxyquinazolin-4-amine;ethyl 4-[4-[4-(1,3-benzothiazol-5-yloxy)-3-methylanilino]quinazolin-6-yl]oxypiperidine-1-carboxylate;[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl] 4-methylbenzenesulfonate;N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]morpholine-4-carboxamide;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 158853799) has the molecular formula C140H128N28O16S3 and a molecular weight of 2554.94 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-5-yloxy)-3-methylphenyl]-6-ethoxyquinazolin-4-amine;ethyl 4-[4-[4-(1,3-benzothiazol-5-yloxy)-3-methylanilino]quinazolin-6-yl]oxypiperidine-1-carboxylate;[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl] 4-methylbenzenesulfonate;N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]morpholine-4-carboxamide;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-(1,3-benzothiazol-5-yloxy)-3-methylphenyl]-6-ethoxyquinazolin-4-amine;ethyl 4-[4-[4-(1,3-benzothiazol-5-yloxy)-3-methylanilino]quinazolin-6-yl]oxypiperidine-1-carboxylate;[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl] 4-methylbenzenesulfonate;N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]morpholine-4-carboxamide;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide
• PubChem CID: 158853799
• Molecular Formula: C140H128N28O16S3
• Molecular Weight: 2554.94 g/mol
• Exact Mass: 2552.92
• IUPAC Name: N-[4-(1,3-benzothiazol-5-yloxy)-3-methylphenyl]-6-ethoxyquinazolin-4-amine;ethyl 4-[4-[4-(1,3-benzothiazol-5-yloxy)-3-methylanilino]quinazolin-6-yl]oxypiperidine-1-carboxylate;[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl] 4-methylbenzenesulfonate;N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]morpholine-4-carboxamide;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide
• SMILES: CCOC(=O)N1CCC(Oc2ccc3ncnc(Nc4ccc(Oc5ccc6scnc6c5)c(C)c4)c3c2)CC1.CCOc1ccc2ncnc(Nc3ccc(Oc4ccc5scnc5c4)c(C)c3)c2c1.Cc1cc(Nc2ncnc3ccc(NC(=O)N4CCOCC4)cc23)ccc1Oc1ccn2ccnc2c1.Cc1cc(Nc2ncnc3ccc(OC4CCN(C(=O)N(C)C)CC4)cc23)ccc1Oc1ccn2ccnc2c1.Cc1ccc(S(=O)(=O)Oc2ccc3ncnc(Nc4ccc(Oc5ccn6ccnc6c5)c(C)c4)c3c2)cc1
• InChI: InChI=1S/C30H31N7O3.C30H29N5O4S.C29H23N5O4S.C27H25N7O3.C24H20N4O2S/c1-20-16-21(4-7-27(20)40-24-10-12-36-15-11-31-28(36)18-24)34-29-25-17-23(5-6-26(25)32-19-33-29)39-22-8-13-37(14-9-22)30(38)35(2)3;1-3-37-30(36)35-12-10-21(11-13-35)38-22-5-7-25-24(15-22)29(32-17-31-25)34-20-4-8-27(19(2)14-20)39-23-6-9-28-26(16-23)33-18-40-28;1-19-3-7-24(8-4-19)39(35,36)38-23-6-9-26-25(16-23)29(32-18-31-26)33-21-5-10-27(20(2)15-21)37-22-11-13-34-14-12-30-28(34)17-22;1-18-14-19(3-5-24(18)37-21-6-8-33-9-7-28-25(33)16-21)31-26-22-15-20(2-4-23(22)29-17-30-26)32-27(35)34-10-12-36-13-11-34;1-3-29-17-5-7-20-19(11-17)24(26-13-25-20)28-16-4-8-22(15(2)10-16)30-18-6-9-23-21(12-18)27-14-31-23/h4-7,10-12,15-19,22H,8-9,13-14H2,1-3H3,(H,32,33,34);4-9,14-18,21H,3,10-13H2,1-2H3,(H,31,32,34);3-18H,1-2H3,(H,31,32,33);2-9,14-17H,10-13H2,1H3,(H,32,35)(H,29,30,31);4-14H,3H2,1-2H3,(H,25,26,28)
• InChIKey: IZUBDYVDVLYVSD-UHFFFAOYSA-N
• XLogP: 30.40
• TPSA: 478.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 31
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2554.94
LogP ≤ 5	30.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-5-yloxy)-3-methylphenyl]-6-ethoxyquinazolin-4-amine;ethyl 4-[4-[4-(1,3-benzothiazol-5-yloxy)-3-methylanilino]quinazolin-6-yl]oxypiperidine-1-carboxylate;[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl] 4-methylbenzenesulfonate;N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]morpholine-4-carboxamide;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide?

The IUPAC name of N-[4-(1,3-benzothiazol-5-yloxy)-3-methylphenyl]-6-ethoxyquinazolin-4-amine;ethyl 4-[4-[4-(1,3-benzothiazol-5-yloxy)-3-methylanilino]quinazolin-6-yl]oxypiperidine-1-carboxylate;[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl] 4-methylbenzenesulfonate;N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]morpholine-4-carboxamide;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide (CID 158853799) is N-[4-(1,3-benzothiazol-5-yloxy)-3-methylphenyl]-6-ethoxyquinazolin-4-amine;ethyl 4-[4-[4-(1,3-benzothiazol-5-yloxy)-3-methylanilino]quinazolin-6-yl]oxypiperidine-1-carboxylate;[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl] 4-methylbenzenesulfonate;N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]morpholine-4-carboxamide;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide.

What is the SMILES notation for N-[4-(1,3-benzothiazol-5-yloxy)-3-methylphenyl]-6-ethoxyquinazolin-4-amine;ethyl 4-[4-[4-(1,3-benzothiazol-5-yloxy)-3-methylanilino]quinazolin-6-yl]oxypiperidine-1-carboxylate;[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl] 4-methylbenzenesulfonate;N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]morpholine-4-carboxamide;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide?

The canonical SMILES for N-[4-(1,3-benzothiazol-5-yloxy)-3-methylphenyl]-6-ethoxyquinazolin-4-amine;ethyl 4-[4-[4-(1,3-benzothiazol-5-yloxy)-3-methylanilino]quinazolin-6-yl]oxypiperidine-1-carboxylate;[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl] 4-methylbenzenesulfonate;N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]morpholine-4-carboxamide;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide is CCOC(=O)N1CCC(Oc2ccc3ncnc(Nc4ccc(Oc5ccc6scnc6c5)c(C)c4)c3c2)CC1.CCOc1ccc2ncnc(Nc3ccc(Oc4ccc5scnc5c4)c(C)c3)c2c1.Cc1cc(Nc2ncnc3ccc(NC(=O)N4CCOCC4)cc23)ccc1Oc1ccn2ccnc2c1.Cc1cc(Nc2ncnc3ccc(OC4CCN(C(=O)N(C)C)CC4)cc23)ccc1Oc1ccn2ccnc2c1.Cc1ccc(S(=O)(=O)Oc2ccc3ncnc(Nc4ccc(Oc5ccn6ccnc6c5)c(C)c4)c3c2)cc1.

What is the InChIKey of N-[4-(1,3-benzothiazol-5-yloxy)-3-methylphenyl]-6-ethoxyquinazolin-4-amine;ethyl 4-[4-[4-(1,3-benzothiazol-5-yloxy)-3-methylanilino]quinazolin-6-yl]oxypiperidine-1-carboxylate;[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl] 4-methylbenzenesulfonate;N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]morpholine-4-carboxamide;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide?

The InChIKey is IZUBDYVDVLYVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O3.C30H29N5O4S.C29H23N5O4S.C27H25N7O3.C24H20N4O2S/c1-20-16-21(4-7-27(20)40-24-10-12-36-15-11-31-28(36)18-24)34-29-25-17-23(5-6-26(25)32-19-33-29)39-22-8-13-37(14-9-22)30(38)35(2)3;1-3-37-30(36)35-12-10-21(11-13-35)38-22-5-7-25-24(15-22)29(32-17-31-25)34-20-4-8-27(19(2)14-20)39-23-6-9-28-26(16-23)33-18-40-28;1-19-3-7-24(8-4-19)39(35,36)38-23-6-9-26-25(16-23)29(32-18-31-26)33-21-5-10-27(20(2)15-21)37-22-11-13-34-14-12-30-28(34)17-22;1-18-14-19(3-5-24(18)37-21-6-8-33-9-7-28-25(33)16-21)31-26-22-15-20(2-4-23(22)29-17-30-26)32-27(35)34-10-12-36-13-11-34;1-3-29-17-5-7-20-19(11-17)24(26-13-25-20)28-16-4-8-22(15(2)10-16)30-18-6-9-23-21(12-18)27-14-31-23/h4-7,10-12,15-19,22H,8-9,13-14H2,1-3H3,(H,32,33,34);4-9,14-18,21H,3,10-13H2,1-2H3,(H,31,32,34);3-18H,1-2H3,(H,31,32,33);2-9,14-17H,10-13H2,1H3,(H,32,35)(H,29,30,31);4-14H,3H2,1-2H3,(H,25,26,28).

What are the key properties of N-[4-(1,3-benzothiazol-5-yloxy)-3-methylphenyl]-6-ethoxyquinazolin-4-amine;ethyl 4-[4-[4-(1,3-benzothiazol-5-yloxy)-3-methylanilino]quinazolin-6-yl]oxypiperidine-1-carboxylate;[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl] 4-methylbenzenesulfonate;N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]morpholine-4-carboxamide;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide?

N-[4-(1,3-benzothiazol-5-yloxy)-3-methylphenyl]-6-ethoxyquinazolin-4-amine;ethyl 4-[4-[4-(1,3-benzothiazol-5-yloxy)-3-methylanilino]quinazolin-6-yl]oxypiperidine-1-carboxylate;[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl] 4-methylbenzenesulfonate;N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]morpholine-4-carboxamide;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 2554.94 g/mol, XLogP of 30.40, 31 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1,3-benzothiazol-5-yloxy)-3-methylphenyl]-6-ethoxyquinazolin-4-amine;ethyl 4-[4-[4-(1,3-benzothiazol-5-yloxy)-3-methylanilino]quinazolin-6-yl]oxypiperidine-1-carboxylate;[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl] 4-methylbenzenesulfonate;N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]morpholine-4-carboxamide;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 158853799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).