6-[3-(4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]quinazolin-4-amine

C124H134F5N31O12 — CID 159064055

About 6-[3-(4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]quinazolin-4-amine

6-[3-(4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]quinazolin-4-amine (PubChem CID 159064055) has the molecular formula C124H134F5N31O12 and a molecular weight of 2345.63 g/mol. Its IUPAC name is 6-[3-(4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]quinazolin-4-amine.

Molecular Properties

• Compound Name: 6-[3-(4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]quinazolin-4-amine
• PubChem CID: 159064055
• Molecular Formula: C124H134F5N31O12
• Molecular Weight: 2345.63 g/mol
• Exact Mass: 2344.07
• IUPAC Name: 6-[3-(4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]quinazolin-4-amine
• SMILES: CCc1nnc2n1CCN(CCCOc1cc3c(Nc4ccc(F)c(C)c4)ncnc3cc1OC)C2.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCn2c(C)nnc2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCn2cnnc2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1Cc2conc2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1Cc2noc(C)c2C1
• InChI: InChI=1S/C26H30FN7O2.C25H28FN7O2.C25H26FN5O3.C24H26FN7O2.C24H24FN5O3/c1-4-24-31-32-25-15-33(9-10-34(24)25)8-5-11-36-23-13-19-21(14-22(23)35-3)28-16-29-26(19)30-18-6-7-20(27)17(2)12-18;1-16-11-18(5-6-20(16)26)29-25-19-12-23(22(34-3)13-21(19)27-15-28-25)35-10-4-7-32-8-9-33-17(2)30-31-24(33)14-32;1-15-9-17(5-6-20(15)26)29-25-18-10-24(23(32-3)11-21(18)27-14-28-25)33-8-4-7-31-12-19-16(2)34-30-22(19)13-31;1-16-10-17(4-5-19(16)25)29-24-18-11-22(21(33-2)12-20(18)26-14-27-24)34-9-3-6-31-7-8-32-15-28-30-23(32)13-31;1-15-8-17(4-5-19(15)25)28-24-18-9-23(22(31-2)10-20(18)26-14-27-24)32-7-3-6-30-11-16-13-33-29-21(16)12-30/h6-7,12-14,16H,4-5,8-11,15H2,1-3H3,(H,28,29,30);5-6,11-13,15H,4,7-10,14H2,1-3H3,(H,27,28,29);5-6,9-11,14H,4,7-8,12-13H2,1-3H3,(H,27,28,29);4-5,10-12,14-15H,3,6-9,13H2,1-2H3,(H,26,27,29);4-5,8-10,13-14H,3,6-7,11-12H2,1-2H3,(H,26,27,28)
• InChIKey: JYVHUHIVJABTLC-UHFFFAOYSA-N
• XLogP: 21.50
• TPSA: 441.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Rotatable Bonds: 41
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2345.63
LogP ≤ 5	21.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]quinazolin-4-amine?

The IUPAC name of 6-[3-(4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]quinazolin-4-amine (CID 159064055) is 6-[3-(4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]quinazolin-4-amine.

What is the SMILES notation for 6-[3-(4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]quinazolin-4-amine?

The canonical SMILES for 6-[3-(4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]quinazolin-4-amine is CCc1nnc2n1CCN(CCCOc1cc3c(Nc4ccc(F)c(C)c4)ncnc3cc1OC)C2.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCn2c(C)nnc2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCn2cnnc2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1Cc2conc2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1Cc2noc(C)c2C1.

What is the InChIKey of 6-[3-(4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]quinazolin-4-amine?

The InChIKey is JYVHUHIVJABTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O2.C25H28FN7O2.C25H26FN5O3.C24H26FN7O2.C24H24FN5O3/c1-4-24-31-32-25-15-33(9-10-34(24)25)8-5-11-36-23-13-19-21(14-22(23)35-3)28-16-29-26(19)30-18-6-7-20(27)17(2)12-18;1-16-11-18(5-6-20(16)26)29-25-19-12-23(22(34-3)13-21(19)27-15-28-25)35-10-4-7-32-8-9-33-17(2)30-31-24(33)14-32;1-15-9-17(5-6-20(15)26)29-25-18-10-24(23(32-3)11-21(18)27-14-28-25)33-8-4-7-31-12-19-16(2)34-30-22(19)13-31;1-16-10-17(4-5-19(16)25)29-24-18-11-22(21(33-2)12-20(18)26-14-27-24)34-9-3-6-31-7-8-32-15-28-30-23(32)13-31;1-15-8-17(4-5-19(15)25)28-24-18-9-23(22(31-2)10-20(18)26-14-27-24)32-7-3-6-30-11-16-13-33-29-21(16)12-30/h6-7,12-14,16H,4-5,8-11,15H2,1-3H3,(H,28,29,30);5-6,11-13,15H,4,7-10,14H2,1-3H3,(H,27,28,29);5-6,9-11,14H,4,7-8,12-13H2,1-3H3,(H,27,28,29);4-5,10-12,14-15H,3,6-9,13H2,1-2H3,(H,26,27,29);4-5,8-10,13-14H,3,6-7,11-12H2,1-2H3,(H,26,27,28).

What are the key properties of 6-[3-(4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]quinazolin-4-amine?

6-[3-(4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]quinazolin-4-amine has a molecular weight of 2345.63 g/mol, XLogP of 21.50, 41 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-4,6-dihydropyrrolo[3,4-c][1,2]oxazol-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]quinazolin-4-amine is sourced from PubChem (CID 159064055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).