6-bromo-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(2-methylmorpholin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine

C105H100BrFN28O4 — CID 158667644

About 6-bromo-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(2-methylmorpholin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine

6-bromo-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(2-methylmorpholin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine (PubChem CID 158667644) has the molecular formula C105H100BrFN28O4 and a molecular weight of 1917.05 g/mol. Its IUPAC name is 6-bromo-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(2-methylmorpholin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine.

Molecular Properties

• Compound Name: 6-bromo-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(2-methylmorpholin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine
• PubChem CID: 158667644
• Molecular Formula: C105H100BrFN28O4
• Molecular Weight: 1917.05 g/mol
• Exact Mass: 1914.76
• IUPAC Name: 6-bromo-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(2-methylmorpholin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine
• SMILES: C#Cc1ccc2nc(Nc3cc(CN4CCOC(C)C4)cc(-c4cnn(C)c4)c3)ncc2c1.Cn1cc(-c2cc(CN3CC[C@H](F)C3)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1.Cn1cc(-c2cc3cnc(Nc4cccc(CN5CCOCC5)c4)nc3cc2OCc2cccnc2)cn1.Cn1cc(-c2cc3cnc(Nc4cccc(Cn5cncn5)c4)nc3cc2OCc2cccnc2)cn1
• InChI: InChI=1S/C29H29N7O2.C27H23N9O.C26H26N6O.C23H22BrFN6/c1-35-19-24(17-32-35)26-13-23-16-31-29(34-27(23)14-28(26)38-20-22-5-3-7-30-15-22)33-25-6-2-4-21(12-25)18-36-8-10-37-11-9-36;1-35-15-22(13-31-35)24-9-21-12-30-27(33-23-6-2-4-19(8-23)14-36-18-29-17-32-36)34-25(21)10-26(24)37-16-20-5-3-7-28-11-20;1-4-19-5-6-25-22(9-19)13-27-26(30-25)29-24-11-20(16-32-7-8-33-18(2)15-32)10-21(12-24)23-14-28-31(3)17-23;1-30-13-18(11-27-30)16-6-15(12-31-5-4-20(25)14-31)7-21(9-16)28-23-26-10-17-8-19(24)2-3-22(17)29-23/h2-7,12-17,19H,8-11,18,20H2,1H3,(H,31,33,34);2-13,15,17-18H,14,16H2,1H3,(H,30,33,34);1,5-6,9-14,17-18H,7-8,15-16H2,2-3H3,(H,27,29,30);2-3,6-11,13,20H,4-5,12,14H2,1H3,(H,26,28,29)/t;;;20-/m...0/s1
• InChIKey: IDOFTCNRCAZWKJ-PRJPWMODSA-N
• XLogP: 18.02
• TPSA: 325.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1917.05
LogP ≤ 5	18.02
H-Bond Donors ≤ 5	4
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-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(2-methylmorpholin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine?

The IUPAC name of 6-bromo-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(2-methylmorpholin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine (CID 158667644) is 6-bromo-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(2-methylmorpholin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine.

What is the SMILES notation for 6-bromo-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(2-methylmorpholin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine?

The canonical SMILES for 6-bromo-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(2-methylmorpholin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine is C#Cc1ccc2nc(Nc3cc(CN4CCOC(C)C4)cc(-c4cnn(C)c4)c3)ncc2c1.Cn1cc(-c2cc(CN3CC[C@H](F)C3)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1.Cn1cc(-c2cc3cnc(Nc4cccc(CN5CCOCC5)c4)nc3cc2OCc2cccnc2)cn1.Cn1cc(-c2cc3cnc(Nc4cccc(Cn5cncn5)c4)nc3cc2OCc2cccnc2)cn1.

What is the InChIKey of 6-bromo-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(2-methylmorpholin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine?

The InChIKey is IDOFTCNRCAZWKJ-PRJPWMODSA-N. The full InChI is InChI=1S/C29H29N7O2.C27H23N9O.C26H26N6O.C23H22BrFN6/c1-35-19-24(17-32-35)26-13-23-16-31-29(34-27(23)14-28(26)38-20-22-5-3-7-30-15-22)33-25-6-2-4-21(12-25)18-36-8-10-37-11-9-36;1-35-15-22(13-31-35)24-9-21-12-30-27(33-23-6-2-4-19(8-23)14-36-18-29-17-32-36)34-25(21)10-26(24)37-16-20-5-3-7-28-11-20;1-4-19-5-6-25-22(9-19)13-27-26(30-25)29-24-11-20(16-32-7-8-33-18(2)15-32)10-21(12-24)23-14-28-31(3)17-23;1-30-13-18(11-27-30)16-6-15(12-31-5-4-20(25)14-31)7-21(9-16)28-23-26-10-17-8-19(24)2-3-22(17)29-23/h2-7,12-17,19H,8-11,18,20H2,1H3,(H,31,33,34);2-13,15,17-18H,14,16H2,1H3,(H,30,33,34);1,5-6,9-14,17-18H,7-8,15-16H2,2-3H3,(H,27,29,30);2-3,6-11,13,20H,4-5,12,14H2,1H3,(H,26,28,29)/t;;;20-/m...0/s1.

What are the key properties of 6-bromo-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(2-methylmorpholin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine?

6-bromo-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(2-methylmorpholin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine has a molecular weight of 1917.05 g/mol, XLogP of 18.02, 26 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(2-methylmorpholin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine is sourced from PubChem (CID 158667644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).