6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine

C135H128Cl4N32O14 — CID 159848392

About 6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine

6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine (PubChem CID 159848392) has the molecular formula C135H128Cl4N32O14 and a molecular weight of 2564.53 g/mol. Its IUPAC name is 6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine.

Molecular Properties

• Compound Name: 6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine
• PubChem CID: 159848392
• Molecular Formula: C135H128Cl4N32O14
• Molecular Weight: 2564.53 g/mol
• Exact Mass: 2560.90
• IUPAC Name: 6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine
• SMILES: CC(C)(C)OC(=O)N1CC2N=C(Nc3ccc4ncnc(Nc5ccc(OCc6ccccn6)c(Cl)c5)c4c3)OC2C1.CC1(C)COC(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)=N1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NCC6(CCNCC6)O5)cc34)cc2C)cn1.Clc1cc(Nc2ncnc3ccc(NC4=NC5(CCOCC5)CO4)cc23)ccc1OCc1ccccn1.Clc1cc(Nc2ncnc3ccc(NC4=NC5COCC5O4)cc23)ccc1OCc1ccccn1
• InChI: InChI=1S/C30H30ClN7O4.C28H29N7O2.C27H25ClN6O3.C25H21ClN6O3.C25H23ClN6O2/c1-30(2,3)42-29(39)38-14-24-26(15-38)41-28(37-24)36-18-7-9-23-21(12-18)27(34-17-33-23)35-19-8-10-25(22(31)13-19)40-16-20-6-4-5-11-32-20;1-18-13-20(5-8-25(18)36-22-6-3-19(2)30-15-22)34-26-23-14-21(4-7-24(23)32-17-33-26)35-27-31-16-28(37-27)9-11-29-12-10-28;28-22-14-19(5-7-24(22)36-15-20-3-1-2-10-29-20)32-25-21-13-18(4-6-23(21)30-17-31-25)33-26-34-27(16-37-26)8-11-35-12-9-27;26-19-10-16(5-7-22(19)34-11-17-3-1-2-8-27-17)30-24-18-9-15(4-6-20(18)28-14-29-24)31-25-32-21-12-33-13-23(21)35-25;1-25(2)14-34-24(32-25)31-16-6-8-21-19(11-16)23(29-15-28-21)30-17-7-9-22(20(26)12-17)33-13-18-5-3-4-10-27-18/h4-13,17,24,26H,14-16H2,1-3H3,(H,36,37)(H,33,34,35);3-8,13-15,17,29H,9-12,16H2,1-2H3,(H,31,35)(H,32,33,34);1-7,10,13-14,17H,8-9,11-12,15-16H2,(H,33,34)(H,30,31,32);1-10,14,21,23H,11-13H2,(H,31,32)(H,28,29,30);3-12,15H,13-14H2,1-2H3,(H,31,32)(H,28,29,30)
• InChIKey: NPPKOOOIWZRJNM-UHFFFAOYSA-N
• XLogP: 26.38
• TPSA: 527.78 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 45
• Rotatable Bonds: 29
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2564.53
LogP ≤ 5	26.38
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine?

The IUPAC name of 6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine (CID 159848392) is 6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine.

What is the SMILES notation for 6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine?

The canonical SMILES for 6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine is CC(C)(C)OC(=O)N1CC2N=C(Nc3ccc4ncnc(Nc5ccc(OCc6ccccn6)c(Cl)c5)c4c3)OC2C1.CC1(C)COC(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)=N1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NCC6(CCNCC6)O5)cc34)cc2C)cn1.Clc1cc(Nc2ncnc3ccc(NC4=NC5(CCOCC5)CO4)cc23)ccc1OCc1ccccn1.Clc1cc(Nc2ncnc3ccc(NC4=NC5COCC5O4)cc23)ccc1OCc1ccccn1.

What is the InChIKey of 6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine?

The InChIKey is NPPKOOOIWZRJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClN7O4.C28H29N7O2.C27H25ClN6O3.C25H21ClN6O3.C25H23ClN6O2/c1-30(2,3)42-29(39)38-14-24-26(15-38)41-28(37-24)36-18-7-9-23-21(12-18)27(34-17-33-23)35-19-8-10-25(22(31)13-19)40-16-20-6-4-5-11-32-20;1-18-13-20(5-8-25(18)36-22-6-3-19(2)30-15-22)34-26-23-14-21(4-7-24(23)32-17-33-26)35-27-31-16-28(37-27)9-11-29-12-10-28;28-22-14-19(5-7-24(22)36-15-20-3-1-2-10-29-20)32-25-21-13-18(4-6-23(21)30-17-31-25)33-26-34-27(16-37-26)8-11-35-12-9-27;26-19-10-16(5-7-22(19)34-11-17-3-1-2-8-27-17)30-24-18-9-15(4-6-20(18)28-14-29-24)31-25-32-21-12-33-13-23(21)35-25;1-25(2)14-34-24(32-25)31-16-6-8-21-19(11-16)23(29-15-28-21)30-17-7-9-22(20(26)12-17)33-13-18-5-3-4-10-27-18/h4-13,17,24,26H,14-16H2,1-3H3,(H,36,37)(H,33,34,35);3-8,13-15,17,29H,9-12,16H2,1-2H3,(H,31,35)(H,32,33,34);1-7,10,13-14,17H,8-9,11-12,15-16H2,(H,33,34)(H,30,31,32);1-10,14,21,23H,11-13H2,(H,31,32)(H,28,29,30);3-12,15H,13-14H2,1-2H3,(H,31,32)(H,28,29,30).

What are the key properties of 6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine?

6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine has a molecular weight of 2564.53 g/mol, XLogP of 26.38, 29 rotatable bonds, 11 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine is sourced from PubChem (CID 159848392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).