6-bromo-N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;N-[4-(2-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

C108H103BrF4N24O4S2 — CID 158343668

About 6-bromo-N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;N-[4-(2-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

6-bromo-N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;N-[4-(2-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (PubChem CID 158343668) has the molecular formula C108H103BrF4N24O4S2 and a molecular weight of 2021.21 g/mol. Its IUPAC name is 6-bromo-N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;N-[4-(2-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

Molecular Properties

• Compound Name: 6-bromo-N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;N-[4-(2-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
• PubChem CID: 158343668
• Molecular Formula: C108H103BrF4N24O4S2
• Molecular Weight: 2021.21 g/mol
• Exact Mass: 2018.72
• IUPAC Name: 6-bromo-N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;N-[4-(2-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
• SMILES: C#Cc1ccc2nc(Nc3cc(CN4CCC(F)(F)CC4)cc(-c4cnn(C)c4)c3)ncc2c1.COc1ccc(-c2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCN(C)CC5)cc4n3)cc2)cn1.COc1ncccc1-c1ccc(Nc2ncc3cc(-c4nccs4)c(OC4CCN(C)CC4)cc3n2)cc1.Cn1cc(-c2cc(CN3CCC(F)(F)CC3)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1
• InChI: InChI=1S/2C29H28N6O2S.C26H24F2N6.C24H23BrF2N6/c1-35-12-9-23(10-13-35)37-26-16-25-21(15-24(26)28-30-11-14-38-28)18-32-29(34-25)33-22-6-3-19(4-7-22)20-5-8-27(36-2)31-17-20;1-35-13-9-22(10-14-35)37-26-17-25-20(16-24(26)28-31-12-15-38-28)18-32-29(34-25)33-21-7-5-19(6-8-21)23-4-3-11-30-27(23)36-2;1-3-18-4-5-24-21(10-18)14-29-25(32-24)31-23-12-19(16-34-8-6-26(27,28)7-9-34)11-20(13-23)22-15-30-33(2)17-22;1-32-15-19(13-29-32)17-8-16(14-33-6-4-24(26,27)5-7-33)9-21(11-17)30-23-28-12-18-10-20(25)2-3-22(18)31-23/h3-8,11,14-18,23H,9-10,12-13H2,1-2H3,(H,32,33,34);3-8,11-12,15-18,22H,9-10,13-14H2,1-2H3,(H,32,33,34);1,4-5,10-15,17H,6-9,16H2,2H3,(H,29,31,32);2-3,8-13,15H,4-7,14H2,1H3,(H,28,30,31)
• InChIKey: GRLRNLADTMLVML-UHFFFAOYSA-N
• XLogP: 22.83
• TPSA: 288.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2021.21
LogP ≤ 5	22.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;N-[4-(2-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?

The IUPAC name of 6-bromo-N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;N-[4-(2-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (CID 158343668) is 6-bromo-N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;N-[4-(2-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

What is the SMILES notation for 6-bromo-N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;N-[4-(2-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?

The canonical SMILES for 6-bromo-N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;N-[4-(2-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is C#Cc1ccc2nc(Nc3cc(CN4CCC(F)(F)CC4)cc(-c4cnn(C)c4)c3)ncc2c1.COc1ccc(-c2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCN(C)CC5)cc4n3)cc2)cn1.COc1ncccc1-c1ccc(Nc2ncc3cc(-c4nccs4)c(OC4CCN(C)CC4)cc3n2)cc1.Cn1cc(-c2cc(CN3CCC(F)(F)CC3)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1.

What is the InChIKey of 6-bromo-N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;N-[4-(2-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?

The InChIKey is GRLRNLADTMLVML-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H28N6O2S.C26H24F2N6.C24H23BrF2N6/c1-35-12-9-23(10-13-35)37-26-16-25-21(15-24(26)28-30-11-14-38-28)18-32-29(34-25)33-22-6-3-19(4-7-22)20-5-8-27(36-2)31-17-20;1-35-13-9-22(10-14-35)37-26-17-25-20(16-24(26)28-31-12-15-38-28)18-32-29(34-25)33-21-7-5-19(6-8-21)23-4-3-11-30-27(23)36-2;1-3-18-4-5-24-21(10-18)14-29-25(32-24)31-23-12-19(16-34-8-6-26(27,28)7-9-34)11-20(13-23)22-15-30-33(2)17-22;1-32-15-19(13-29-32)17-8-16(14-33-6-4-24(26,27)5-7-33)9-21(11-17)30-23-28-12-18-10-20(25)2-3-22(18)31-23/h3-8,11,14-18,23H,9-10,12-13H2,1-2H3,(H,32,33,34);3-8,11-12,15-18,22H,9-10,13-14H2,1-2H3,(H,32,33,34);1,4-5,10-15,17H,6-9,16H2,2H3,(H,29,31,32);2-3,8-13,15H,4-7,14H2,1H3,(H,28,30,31).

What are the key properties of 6-bromo-N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;N-[4-(2-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?

6-bromo-N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;N-[4-(2-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine has a molecular weight of 2021.21 g/mol, XLogP of 22.83, 24 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;N-[4-(2-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is sourced from PubChem (CID 158343668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).