2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynyl-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-[(3R)-1-ethylpyrrolidin-3-yl]oxy-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynyl-8-methoxyquinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine;7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine

C109H103N31O7 — CID 158306225

About 2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynyl-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-[(3R)-1-ethylpyrrolidin-3-yl]oxy-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynyl-8-methoxyquinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine;7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine

2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynyl-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-[(3R)-1-ethylpyrrolidin-3-yl]oxy-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynyl-8-methoxyquinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine;7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine (PubChem CID 158306225) has the molecular formula C109H103N31O7 and a molecular weight of 1959.23 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynyl-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-[(3R)-1-ethylpyrrolidin-3-yl]oxy-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynyl-8-methoxyquinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine;7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine.

Molecular Properties

• Compound Name: 2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynyl-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-[(3R)-1-ethylpyrrolidin-3-yl]oxy-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynyl-8-methoxyquinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine;7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine
• PubChem CID: 158306225
• Molecular Formula: C109H103N31O7
• Molecular Weight: 1959.23 g/mol
• Exact Mass: 1957.87
• IUPAC Name: 2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynyl-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-[(3R)-1-ethylpyrrolidin-3-yl]oxy-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynyl-8-methoxyquinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine;7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine
• SMILES: C#Cc1cc(OC)c2nc(Nc3cc(O[C@@H]4CCN(C(=O)CN(C)C)C4)cc(-c4cnn(C)c4)c3)ncc2c1.C#Cc1cc(OC)c2nc(Nc3cc(O[C@@H]4CCN(CC)C4)cc(-c4cnn(C)c4)c3)ncc2c1.Cn1cc(-c2cc3cnc(Nc4cccc(Cn5cccn5)c4)nc3cc2OCc2cnccn2)cn1.c1cc(Cn2cccn2)cc(Nc2ncc3cc(-c4cn[nH]c4)c(OCc4cnccn4)cc3n2)c1
• InChI: InChI=1S/C29H31N7O3.C27H23N9O.C27H28N6O2.C26H21N9O/c1-6-19-9-21-14-30-29(33-28(21)26(10-19)38-5)32-23-11-20(22-15-31-35(4)16-22)12-25(13-23)39-24-7-8-36(17-24)27(37)18-34(2)3;1-35-17-21(14-32-35)24-11-20-13-30-27(33-22-5-2-4-19(10-22)16-36-9-3-6-31-36)34-25(20)12-26(24)37-18-23-15-28-7-8-29-23;1-5-18-9-20-14-28-27(31-26(20)25(10-18)34-4)30-22-11-19(21-15-29-32(3)16-21)12-24(13-22)35-23-7-8-33(6-2)17-23;1-3-18(16-35-8-2-5-32-35)9-21(4-1)33-26-29-12-19-10-23(20-13-30-31-14-20)25(11-24(19)34-26)36-17-22-15-27-6-7-28-22/h1,9-16,24H,7-8,17-18H2,2-5H3,(H,30,32,33);2-15,17H,16,18H2,1H3,(H,30,33,34);1,9-16,23H,6-8,17H2,2-4H3,(H,28,30,31);1-15H,16-17H2,(H,30,31)(H,29,33,34)/t24-;;23-;/m1.1./s1
• InChIKey: GNCOLUKLYWTGET-FQDFJISHSA-N
• XLogP: 16.31
• TPSA: 402.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 31
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1959.23
LogP ≤ 5	16.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynyl-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-[(3R)-1-ethylpyrrolidin-3-yl]oxy-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynyl-8-methoxyquinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine;7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine?

The IUPAC name of 2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynyl-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-[(3R)-1-ethylpyrrolidin-3-yl]oxy-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynyl-8-methoxyquinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine;7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine (CID 158306225) is 2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynyl-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-[(3R)-1-ethylpyrrolidin-3-yl]oxy-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynyl-8-methoxyquinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine;7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine.

What is the SMILES notation for 2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynyl-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-[(3R)-1-ethylpyrrolidin-3-yl]oxy-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynyl-8-methoxyquinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine;7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine?

The canonical SMILES for 2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynyl-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-[(3R)-1-ethylpyrrolidin-3-yl]oxy-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynyl-8-methoxyquinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine;7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine is C#Cc1cc(OC)c2nc(Nc3cc(O[C@@H]4CCN(C(=O)CN(C)C)C4)cc(-c4cnn(C)c4)c3)ncc2c1.C#Cc1cc(OC)c2nc(Nc3cc(O[C@@H]4CCN(CC)C4)cc(-c4cnn(C)c4)c3)ncc2c1.Cn1cc(-c2cc3cnc(Nc4cccc(Cn5cccn5)c4)nc3cc2OCc2cnccn2)cn1.c1cc(Cn2cccn2)cc(Nc2ncc3cc(-c4cn[nH]c4)c(OCc4cnccn4)cc3n2)c1.

What is the InChIKey of 2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynyl-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-[(3R)-1-ethylpyrrolidin-3-yl]oxy-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynyl-8-methoxyquinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine;7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine?

The InChIKey is GNCOLUKLYWTGET-FQDFJISHSA-N. The full InChI is InChI=1S/C29H31N7O3.C27H23N9O.C27H28N6O2.C26H21N9O/c1-6-19-9-21-14-30-29(33-28(21)26(10-19)38-5)32-23-11-20(22-15-31-35(4)16-22)12-25(13-23)39-24-7-8-36(17-24)27(37)18-34(2)3;1-35-17-21(14-32-35)24-11-20-13-30-27(33-22-5-2-4-19(10-22)16-36-9-3-6-31-36)34-25(20)12-26(24)37-18-23-15-28-7-8-29-23;1-5-18-9-20-14-28-27(31-26(20)25(10-18)34-4)30-22-11-19(21-15-29-32(3)16-21)12-24(13-22)35-23-7-8-33(6-2)17-23;1-3-18(16-35-8-2-5-32-35)9-21(4-1)33-26-29-12-19-10-23(20-13-30-31-14-20)25(11-24(19)34-26)36-17-22-15-27-6-7-28-22/h1,9-16,24H,7-8,17-18H2,2-5H3,(H,30,32,33);2-15,17H,16,18H2,1H3,(H,30,33,34);1,9-16,23H,6-8,17H2,2-4H3,(H,28,30,31);1-15H,16-17H2,(H,30,31)(H,29,33,34)/t24-;;23-;/m1.1./s1.

What are the key properties of 2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynyl-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-[(3R)-1-ethylpyrrolidin-3-yl]oxy-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynyl-8-methoxyquinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine;7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine?

2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynyl-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-[(3R)-1-ethylpyrrolidin-3-yl]oxy-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynyl-8-methoxyquinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine;7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine has a molecular weight of 1959.23 g/mol, XLogP of 16.31, 31 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-1-[(3R)-3-[3-[(6-ethynyl-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]pyrrolidin-1-yl]ethanone;N-[3-[(3R)-1-ethylpyrrolidin-3-yl]oxy-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynyl-8-methoxyquinazolin-2-amine;6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine;7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine is sourced from PubChem (CID 158306225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).