N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;8-chloro-6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[4-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

C100H91BrCl2N26O4S2 — CID 159316275

About N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;8-chloro-6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[4-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;8-chloro-6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[4-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (PubChem CID 159316275) has the molecular formula C100H91BrCl2N26O4S2 and a molecular weight of 1935.95 g/mol. Its IUPAC name is N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;8-chloro-6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[4-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

Molecular Properties

• Compound Name: N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;8-chloro-6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[4-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
• PubChem CID: 159316275
• Molecular Formula: C100H91BrCl2N26O4S2
• Molecular Weight: 1935.95 g/mol
• Exact Mass: 1932.57
• IUPAC Name: N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;8-chloro-6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[4-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
• SMILES: C#Cc1cc(Cl)c2nc(Nc3cc(O[C@@H]4CCNC4)cc(-c4cnn(C)c4)c3)ncc2c1.Cc1ncc(-c2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)cc2)cn1.Cn1cc(-c2cc(Nc3ncc4cc(Br)cc(Cl)c4n3)cc(O[C@@H]3CCNC3)c2)cn1.Nc1ccc(-c2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)cc2)cn1
• InChI: InChI=1S/2C27H25N7OS.C24H21ClN6O.C22H20BrClN6O/c1-17-30-15-20(16-31-17)18-2-4-21(5-3-18)33-27-32-14-19-12-23(26-29-10-11-36-26)25(13-24(19)34-27)35-22-6-8-28-9-7-22;28-25-6-3-18(15-31-25)17-1-4-20(5-2-17)33-27-32-16-19-13-22(26-30-11-12-36-26)24(14-23(19)34-27)35-21-7-9-29-10-8-21;1-3-15-6-17-11-27-24(30-23(17)22(25)7-15)29-19-8-16(18-12-28-31(2)14-18)9-21(10-19)32-20-4-5-26-13-20;1-30-12-15(10-27-30)13-5-17(8-19(6-13)31-18-2-3-25-11-18)28-22-26-9-14-4-16(23)7-20(24)21(14)29-22/h2-5,10-16,22,28H,6-9H2,1H3,(H,32,33,34);1-6,11-16,21,29H,7-10H2,(H2,28,31)(H,32,33,34);1,6-12,14,20,26H,4-5,13H2,2H3,(H,27,29,30);4-10,12,18,25H,2-3,11H2,1H3,(H,26,28,29)/t;;20-;18-/m..11/s1
• InChIKey: LDEDMQNOVXOVOF-RNSYAHNBSA-N
• XLogP: 19.74
• TPSA: 362.39 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1935.95
LogP ≤ 5	19.74
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;8-chloro-6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[4-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?

The IUPAC name of N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;8-chloro-6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[4-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (CID 159316275) is N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;8-chloro-6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[4-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

What is the SMILES notation for N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;8-chloro-6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[4-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?

The canonical SMILES for N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;8-chloro-6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[4-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is C#Cc1cc(Cl)c2nc(Nc3cc(O[C@@H]4CCNC4)cc(-c4cnn(C)c4)c3)ncc2c1.Cc1ncc(-c2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)cc2)cn1.Cn1cc(-c2cc(Nc3ncc4cc(Br)cc(Cl)c4n3)cc(O[C@@H]3CCNC3)c2)cn1.Nc1ccc(-c2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)cc2)cn1.

What is the InChIKey of N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;8-chloro-6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[4-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?

The InChIKey is LDEDMQNOVXOVOF-RNSYAHNBSA-N. The full InChI is InChI=1S/2C27H25N7OS.C24H21ClN6O.C22H20BrClN6O/c1-17-30-15-20(16-31-17)18-2-4-21(5-3-18)33-27-32-14-19-12-23(26-29-10-11-36-26)25(13-24(19)34-27)35-22-6-8-28-9-7-22;28-25-6-3-18(15-31-25)17-1-4-20(5-2-17)33-27-32-16-19-13-22(26-30-11-12-36-26)24(14-23(19)34-27)35-21-7-9-29-10-8-21;1-3-15-6-17-11-27-24(30-23(17)22(25)7-15)29-19-8-16(18-12-28-31(2)14-18)9-21(10-19)32-20-4-5-26-13-20;1-30-12-15(10-27-30)13-5-17(8-19(6-13)31-18-2-3-25-11-18)28-22-26-9-14-4-16(23)7-20(24)21(14)29-22/h2-5,10-16,22,28H,6-9H2,1H3,(H,32,33,34);1-6,11-16,21,29H,7-10H2,(H2,28,31)(H,32,33,34);1,6-12,14,20,26H,4-5,13H2,2H3,(H,27,29,30);4-10,12,18,25H,2-3,11H2,1H3,(H,26,28,29)/t;;20-;18-/m..11/s1.

What are the key properties of N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;8-chloro-6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[4-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?

N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;8-chloro-6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[4-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine has a molecular weight of 1935.95 g/mol, XLogP of 19.74, 22 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;8-chloro-6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[4-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is sourced from PubChem (CID 159316275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).