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

C113H110Cl2N22O11 — CID 158328055

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

6-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-ylmethyl)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine (PubChem CID 158328055) has the molecular formula C113H110Cl2N22O11 and a molecular weight of 2023.17 g/mol. Its IUPAC name is 6-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-ylmethyl)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

• Compound Name: 6-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-ylmethyl)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine
• PubChem CID: 158328055
• Molecular Formula: C113H110Cl2N22O11
• Molecular Weight: 2023.17 g/mol
• Exact Mass: 2020.81
• IUPAC Name: 6-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-ylmethyl)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine
• SMILES: CC(C)(C)OC(=O)N1CC2N=C(Cc3ccc4ncnc(Nc5ccc(OCc6ccccn6)c(Cl)c5)c4c3)OC2C1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NCC6(CCNCC6)O5)cc34)cc2C)cn1.Cc1cncc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(C)(C)CO5)cc34)cc2C)c1.Clc1cc(Nc2ncnc3ccc(CC4=NC5COCC5O4)cc23)ccc1OCc1ccccn1
• InChI: InChI=1S/C31H31ClN6O4.C29H30N6O2.C27H27N5O2.C26H22ClN5O3/c1-31(2,3)42-30(39)38-15-25-27(16-38)41-28(37-25)13-19-7-9-24-22(12-19)29(35-18-34-24)36-20-8-10-26(23(32)14-20)40-17-21-6-4-5-11-33-21;1-19-13-22(5-8-26(19)36-23-6-3-20(2)31-16-23)35-28-24-14-21(4-7-25(24)33-18-34-28)15-27-32-17-29(37-27)9-11-30-12-10-29;1-17-9-21(14-28-13-17)34-24-8-6-20(10-18(24)2)31-26-22-11-19(5-7-23(22)29-16-30-26)12-25-32-27(3,4)15-33-25;27-20-11-17(5-7-23(20)34-12-18-3-1-2-8-28-18)31-26-19-9-16(4-6-21(19)29-15-30-26)10-25-32-22-13-33-14-24(22)35-25/h4-12,14,18,25,27H,13,15-17H2,1-3H3,(H,34,35,36);3-8,13-14,16,18,30H,9-12,15,17H2,1-2H3,(H,33,34,35);5-11,13-14,16H,12,15H2,1-4H3,(H,29,30,31);1-9,11,15,22,24H,10,12-14H2,(H,29,30,31)
• InChIKey: GPQRTTYRMBEMQC-UHFFFAOYSA-N
• XLogP: 21.90
• TPSA: 376.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2023.17
LogP ≤ 5	21.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

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

The IUPAC name of 6-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-ylmethyl)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine (CID 158328055) is 6-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-ylmethyl)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine.

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

The canonical SMILES for 6-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-ylmethyl)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine is CC(C)(C)OC(=O)N1CC2N=C(Cc3ccc4ncnc(Nc5ccc(OCc6ccccn6)c(Cl)c5)c4c3)OC2C1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NCC6(CCNCC6)O5)cc34)cc2C)cn1.Cc1cncc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(C)(C)CO5)cc34)cc2C)c1.Clc1cc(Nc2ncnc3ccc(CC4=NC5COCC5O4)cc23)ccc1OCc1ccccn1.

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

The InChIKey is GPQRTTYRMBEMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31ClN6O4.C29H30N6O2.C27H27N5O2.C26H22ClN5O3/c1-31(2,3)42-30(39)38-15-25-27(16-38)41-28(37-25)13-19-7-9-24-22(12-19)29(35-18-34-24)36-20-8-10-26(23(32)14-20)40-17-21-6-4-5-11-33-21;1-19-13-22(5-8-26(19)36-23-6-3-20(2)31-16-23)35-28-24-14-21(4-7-25(24)33-18-34-28)15-27-32-17-29(37-27)9-11-30-12-10-29;1-17-9-21(14-28-13-17)34-24-8-6-20(10-18(24)2)31-26-22-11-19(5-7-23(22)29-16-30-26)12-25-32-27(3,4)15-33-25;27-20-11-17(5-7-23(20)34-12-18-3-1-2-8-28-18)31-26-19-9-16(4-6-21(19)29-15-30-26)10-25-32-22-13-33-14-24(22)35-25/h4-12,14,18,25,27H,13,15-17H2,1-3H3,(H,34,35,36);3-8,13-14,16,18,30H,9-12,15,17H2,1-2H3,(H,33,34,35);5-11,13-14,16H,12,15H2,1-4H3,(H,29,30,31);1-9,11,15,22,24H,10,12-14H2,(H,29,30,31).

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

6-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-ylmethyl)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine has a molecular weight of 2023.17 g/mol, XLogP of 21.90, 26 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-ylmethyl)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine;tert-butyl 2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 158328055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).