2-amino-1-[3-[[6-ethynyl-7-(pyridin-3-ylmethoxy)quinazolin-2-yl]amino]phenyl]ethanol;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;7-(1-methylpiperidin-4-yl)oxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;1-morpholin-4-yl-2-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]ethanone

C101H93BrN26O8S — CID 159471750

About 2-amino-1-[3-[[6-ethynyl-7-(pyridin-3-ylmethoxy)quinazolin-2-yl]amino]phenyl]ethanol;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;7-(1-methylpiperidin-4-yl)oxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;1-morpholin-4-yl-2-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]ethanone

2-amino-1-[3-[[6-ethynyl-7-(pyridin-3-ylmethoxy)quinazolin-2-yl]amino]phenyl]ethanol;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;7-(1-methylpiperidin-4-yl)oxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;1-morpholin-4-yl-2-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]ethanone (PubChem CID 159471750) has the molecular formula C101H93BrN26O8S and a molecular weight of 1911.00 g/mol. Its IUPAC name is 2-amino-1-[3-[[6-ethynyl-7-(pyridin-3-ylmethoxy)quinazolin-2-yl]amino]phenyl]ethanol;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;7-(1-methylpiperidin-4-yl)oxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;1-morpholin-4-yl-2-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]ethanone.

Molecular Properties

• Compound Name: 2-amino-1-[3-[[6-ethynyl-7-(pyridin-3-ylmethoxy)quinazolin-2-yl]amino]phenyl]ethanol;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;7-(1-methylpiperidin-4-yl)oxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;1-morpholin-4-yl-2-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]ethanone
• PubChem CID: 159471750
• Molecular Formula: C101H93BrN26O8S
• Molecular Weight: 1911.00 g/mol
• Exact Mass: 1908.66
• IUPAC Name: 2-amino-1-[3-[[6-ethynyl-7-(pyridin-3-ylmethoxy)quinazolin-2-yl]amino]phenyl]ethanol;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;7-(1-methylpiperidin-4-yl)oxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;1-morpholin-4-yl-2-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]ethanone
• SMILES: C#Cc1cc2cnc(Nc3cccc(C(O)CN)c3)nc2cc1OCc1cccnc1.CN1CCC(Oc2cc3nc(Nc4ccc(Oc5ncccn5)cc4)ncc3cc2-c2nccs2)CC1.Cn1cc(-c2cc(Nc3ncc4cc(Br)ccc4n3)cc(O[C@H]3CCNC3)c2)cn1.O=C(Cc1cccc(Nc2ncc3cc(-c4cn[nH]c4)c(OCc4cnccn4)cc3n2)c1)N1CCOCC1
• InChI: InChI=1S/C28H26N8O3.C27H25N7O2S.C24H21N5O2.C22H21BrN6O/c37-27(36-6-8-38-9-7-36)11-19-2-1-3-22(10-19)34-28-31-14-20-12-24(21-15-32-33-16-21)26(13-25(20)35-28)39-18-23-17-29-4-5-30-23;1-34-12-7-21(8-13-34)35-24-16-23-18(15-22(24)25-28-11-14-37-25)17-31-26(33-23)32-19-3-5-20(6-4-19)36-27-29-9-2-10-30-27;1-2-17-9-19-14-27-24(28-20-7-3-6-18(10-20)22(30)12-25)29-21(19)11-23(17)31-15-16-5-4-8-26-13-16;1-29-13-16(11-26-29)14-7-18(9-20(8-14)30-19-4-5-24-12-19)27-22-25-10-15-6-17(23)2-3-21(15)28-22/h1-5,10,12-17H,6-9,11,18H2,(H,32,33)(H,31,34,35);2-6,9-11,14-17,21H,7-8,12-13H2,1H3,(H,31,32,33);1,3-11,13-14,22,30H,12,15,25H2,(H,27,28,29);2-3,6-11,13,19,24H,4-5,12H2,1H3,(H,25,27,28)/t;;;19-/m...0/s1
• InChIKey: LVWXHTYPCBSSLY-NYBMIIRXSA-N
• XLogP: 16.68
• TPSA: 412.29 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1911.00
LogP ≤ 5	16.68
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[[6-ethynyl-7-(pyridin-3-ylmethoxy)quinazolin-2-yl]amino]phenyl]ethanol;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;7-(1-methylpiperidin-4-yl)oxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;1-morpholin-4-yl-2-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]ethanone?

The IUPAC name of 2-amino-1-[3-[[6-ethynyl-7-(pyridin-3-ylmethoxy)quinazolin-2-yl]amino]phenyl]ethanol;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;7-(1-methylpiperidin-4-yl)oxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;1-morpholin-4-yl-2-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]ethanone (CID 159471750) is 2-amino-1-[3-[[6-ethynyl-7-(pyridin-3-ylmethoxy)quinazolin-2-yl]amino]phenyl]ethanol;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;7-(1-methylpiperidin-4-yl)oxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;1-morpholin-4-yl-2-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]ethanone.

What is the SMILES notation for 2-amino-1-[3-[[6-ethynyl-7-(pyridin-3-ylmethoxy)quinazolin-2-yl]amino]phenyl]ethanol;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;7-(1-methylpiperidin-4-yl)oxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;1-morpholin-4-yl-2-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]ethanone?

The canonical SMILES for 2-amino-1-[3-[[6-ethynyl-7-(pyridin-3-ylmethoxy)quinazolin-2-yl]amino]phenyl]ethanol;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;7-(1-methylpiperidin-4-yl)oxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;1-morpholin-4-yl-2-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]ethanone is C#Cc1cc2cnc(Nc3cccc(C(O)CN)c3)nc2cc1OCc1cccnc1.CN1CCC(Oc2cc3nc(Nc4ccc(Oc5ncccn5)cc4)ncc3cc2-c2nccs2)CC1.Cn1cc(-c2cc(Nc3ncc4cc(Br)ccc4n3)cc(O[C@H]3CCNC3)c2)cn1.O=C(Cc1cccc(Nc2ncc3cc(-c4cn[nH]c4)c(OCc4cnccn4)cc3n2)c1)N1CCOCC1.

What is the InChIKey of 2-amino-1-[3-[[6-ethynyl-7-(pyridin-3-ylmethoxy)quinazolin-2-yl]amino]phenyl]ethanol;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;7-(1-methylpiperidin-4-yl)oxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;1-morpholin-4-yl-2-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]ethanone?

The InChIKey is LVWXHTYPCBSSLY-NYBMIIRXSA-N. The full InChI is InChI=1S/C28H26N8O3.C27H25N7O2S.C24H21N5O2.C22H21BrN6O/c37-27(36-6-8-38-9-7-36)11-19-2-1-3-22(10-19)34-28-31-14-20-12-24(21-15-32-33-16-21)26(13-25(20)35-28)39-18-23-17-29-4-5-30-23;1-34-12-7-21(8-13-34)35-24-16-23-18(15-22(24)25-28-11-14-37-25)17-31-26(33-23)32-19-3-5-20(6-4-19)36-27-29-9-2-10-30-27;1-2-17-9-19-14-27-24(28-20-7-3-6-18(10-20)22(30)12-25)29-21(19)11-23(17)31-15-16-5-4-8-26-13-16;1-29-13-16(11-26-29)14-7-18(9-20(8-14)30-19-4-5-24-12-19)27-22-25-10-15-6-17(23)2-3-21(15)28-22/h1-5,10,12-17H,6-9,11,18H2,(H,32,33)(H,31,34,35);2-6,9-11,14-17,21H,7-8,12-13H2,1H3,(H,31,32,33);1,3-11,13-14,22,30H,12,15,25H2,(H,27,28,29);2-3,6-11,13,19,24H,4-5,12H2,1H3,(H,25,27,28)/t;;;19-/m...0/s1.

What are the key properties of 2-amino-1-[3-[[6-ethynyl-7-(pyridin-3-ylmethoxy)quinazolin-2-yl]amino]phenyl]ethanol;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;7-(1-methylpiperidin-4-yl)oxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;1-morpholin-4-yl-2-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]ethanone?

2-amino-1-[3-[[6-ethynyl-7-(pyridin-3-ylmethoxy)quinazolin-2-yl]amino]phenyl]ethanol;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;7-(1-methylpiperidin-4-yl)oxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;1-morpholin-4-yl-2-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]ethanone has a molecular weight of 1911.00 g/mol, XLogP of 16.68, 27 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[3-[[6-ethynyl-7-(pyridin-3-ylmethoxy)quinazolin-2-yl]amino]phenyl]ethanol;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;7-(1-methylpiperidin-4-yl)oxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;1-morpholin-4-yl-2-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 159471750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).