6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;N-[3-[(dimethylamino)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;6-ethynyl-N-(4-piperidin-4-ylphenyl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine

C125H116BrN29O3 — CID 158716094

About 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;N-[3-[(dimethylamino)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;6-ethynyl-N-(4-piperidin-4-ylphenyl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine

6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;N-[3-[(dimethylamino)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;6-ethynyl-N-(4-piperidin-4-ylphenyl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine (PubChem CID 158716094) has the molecular formula C125H116BrN29O3 and a molecular weight of 2152.41 g/mol. Its IUPAC name is 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;N-[3-[(dimethylamino)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;6-ethynyl-N-(4-piperidin-4-ylphenyl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine.

Molecular Properties

• Compound Name: 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;N-[3-[(dimethylamino)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;6-ethynyl-N-(4-piperidin-4-ylphenyl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine
• PubChem CID: 158716094
• Molecular Formula: C125H116BrN29O3
• Molecular Weight: 2152.41 g/mol
• Exact Mass: 2149.90
• IUPAC Name: 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;N-[3-[(dimethylamino)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;6-ethynyl-N-(4-piperidin-4-ylphenyl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine
• SMILES: C#Cc1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2cc1OCc1cccnc1.C#Cc1cc2cnc(Nc3cccc(-c4cnco4)c3)nc2cc1OCCc1cnccn1.C#Cc1ccc2nc(Nc3cc(CN(C)C)cc(-c4cnn(C)c4)c3)ncc2c1.C#Cc1ccc2nc(Nc3cc(CN4CCCCC4)cc(-c4cnn(C)c4)c3)ncc2c1.Cn1cc(-c2cc(CN3CCCCC3)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1
• InChI: InChI=1S/C27H25N5O.C26H26N6.C25H18N6O2.C24H25BrN6.C23H22N6/c1-2-20-14-23-17-30-27(31-24-7-5-21(6-8-24)22-9-12-28-13-10-22)32-25(23)15-26(20)33-18-19-4-3-11-29-16-19;1-3-19-7-8-25-22(11-19)15-27-26(30-25)29-24-13-20(17-32-9-5-4-6-10-32)12-21(14-24)23-16-28-31(2)18-23;1-2-17-10-19-13-29-25(30-20-5-3-4-18(11-20)24-15-27-16-33-24)31-22(19)12-23(17)32-9-6-21-14-26-7-8-28-21;1-30-16-20(14-27-30)18-9-17(15-31-7-3-2-4-8-31)10-22(12-18)28-24-26-13-19-11-21(25)5-6-23(19)29-24;1-5-16-6-7-22-19(8-16)12-24-23(27-22)26-21-10-17(14-28(2)3)9-18(11-21)20-13-25-29(4)15-20/h1,3-8,11,14-17,22,28H,9-10,12-13,18H2,(H,30,31,32);1,7-8,11-16,18H,4-6,9-10,17H2,2H3,(H,27,29,30);1,3-5,7-8,10-16H,6,9H2,(H,29,30,31);5-6,9-14,16H,2-4,7-8,15H2,1H3,(H,26,28,29);1,6-13,15H,14H2,2-4H3,(H,24,26,27)
• InChIKey: IJIFHDFYHXHFSD-UHFFFAOYSA-N
• XLogP: 23.30
• TPSA: 347.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2152.41
LogP ≤ 5	23.30
H-Bond Donors ≤ 5	6
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 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;N-[3-[(dimethylamino)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;6-ethynyl-N-(4-piperidin-4-ylphenyl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine?

The IUPAC name of 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;N-[3-[(dimethylamino)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;6-ethynyl-N-(4-piperidin-4-ylphenyl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine (CID 158716094) is 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;N-[3-[(dimethylamino)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;6-ethynyl-N-(4-piperidin-4-ylphenyl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine.

What is the SMILES notation for 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;N-[3-[(dimethylamino)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;6-ethynyl-N-(4-piperidin-4-ylphenyl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine?

The canonical SMILES for 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;N-[3-[(dimethylamino)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;6-ethynyl-N-(4-piperidin-4-ylphenyl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine is C#Cc1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2cc1OCc1cccnc1.C#Cc1cc2cnc(Nc3cccc(-c4cnco4)c3)nc2cc1OCCc1cnccn1.C#Cc1ccc2nc(Nc3cc(CN(C)C)cc(-c4cnn(C)c4)c3)ncc2c1.C#Cc1ccc2nc(Nc3cc(CN4CCCCC4)cc(-c4cnn(C)c4)c3)ncc2c1.Cn1cc(-c2cc(CN3CCCCC3)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1.

What is the InChIKey of 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;N-[3-[(dimethylamino)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;6-ethynyl-N-(4-piperidin-4-ylphenyl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine?

The InChIKey is IJIFHDFYHXHFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O.C26H26N6.C25H18N6O2.C24H25BrN6.C23H22N6/c1-2-20-14-23-17-30-27(31-24-7-5-21(6-8-24)22-9-12-28-13-10-22)32-25(23)15-26(20)33-18-19-4-3-11-29-16-19;1-3-19-7-8-25-22(11-19)15-27-26(30-25)29-24-13-20(17-32-9-5-4-6-10-32)12-21(14-24)23-16-28-31(2)18-23;1-2-17-10-19-13-29-25(30-20-5-3-4-18(11-20)24-15-27-16-33-24)31-22(19)12-23(17)32-9-6-21-14-26-7-8-28-21;1-30-16-20(14-27-30)18-9-17(15-31-7-3-2-4-8-31)10-22(12-18)28-24-26-13-19-11-21(25)5-6-23(19)29-24;1-5-16-6-7-22-19(8-16)12-24-23(27-22)26-21-10-17(14-28(2)3)9-18(11-21)20-13-25-29(4)15-20/h1,3-8,11,14-17,22,28H,9-10,12-13,18H2,(H,30,31,32);1,7-8,11-16,18H,4-6,9-10,17H2,2H3,(H,27,29,30);1,3-5,7-8,10-16H,6,9H2,(H,29,30,31);5-6,9-14,16H,2-4,7-8,15H2,1H3,(H,26,28,29);1,6-13,15H,14H2,2-4H3,(H,24,26,27).

What are the key properties of 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;N-[3-[(dimethylamino)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;6-ethynyl-N-(4-piperidin-4-ylphenyl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine?

6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;N-[3-[(dimethylamino)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;6-ethynyl-N-(4-piperidin-4-ylphenyl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine has a molecular weight of 2152.41 g/mol, XLogP of 23.30, 28 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;N-[3-[(dimethylamino)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;6-ethynyl-N-(4-piperidin-4-ylphenyl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine is sourced from PubChem (CID 158716094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).