7-(1,3-benzodioxol-5-ylmethoxy)-N-(2-fluoro-4-methylphenyl)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[2-(2-methyl-1,3-thiazol-4-yl)ethoxy]quinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine

C90H88F4N16O10S — CID 157437112

About 7-(1,3-benzodioxol-5-ylmethoxy)-N-(2-fluoro-4-methylphenyl)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[2-(2-methyl-1,3-thiazol-4-yl)ethoxy]quinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine

7-(1,3-benzodioxol-5-ylmethoxy)-N-(2-fluoro-4-methylphenyl)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[2-(2-methyl-1,3-thiazol-4-yl)ethoxy]quinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine (PubChem CID 157437112) has the molecular formula C90H88F4N16O10S and a molecular weight of 1661.85 g/mol. Its IUPAC name is 7-(1,3-benzodioxol-5-ylmethoxy)-N-(2-fluoro-4-methylphenyl)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[2-(2-methyl-1,3-thiazol-4-yl)ethoxy]quinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine.

Molecular Properties

• Compound Name: 7-(1,3-benzodioxol-5-ylmethoxy)-N-(2-fluoro-4-methylphenyl)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[2-(2-methyl-1,3-thiazol-4-yl)ethoxy]quinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine
• PubChem CID: 157437112
• Molecular Formula: C90H88F4N16O10S
• Molecular Weight: 1661.85 g/mol
• Exact Mass: 1660.65
• IUPAC Name: 7-(1,3-benzodioxol-5-ylmethoxy)-N-(2-fluoro-4-methylphenyl)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[2-(2-methyl-1,3-thiazol-4-yl)ethoxy]quinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine
• SMILES: COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCCN1CCCC1.COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCCc1csc(C)n1.COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCc1ccc2c(c1)OCO2.COc1cc2c(Nc3ccc(F)c(C)c3)ncnc2cc1OCCCn1ccnc1
• InChI: InChI=1S/C24H20FN3O4.C22H22FN5O2.C22H21FN4O2S.C22H25FN4O2/c1-14-3-5-18(17(25)7-14)28-24-16-9-21(29-2)23(10-19(16)26-12-27-24)30-11-15-4-6-20-22(8-15)32-13-31-20;1-15-10-16(4-5-18(15)23)27-22-17-11-20(29-2)21(12-19(17)25-13-26-22)30-9-3-7-28-8-6-24-14-28;1-13-4-5-18(17(23)8-13)27-22-16-9-20(28-3)21(10-19(16)24-12-25-22)29-7-6-15-11-30-14(2)26-15;1-15-5-6-18(17(23)11-15)26-22-16-12-20(28-2)21(13-19(16)24-14-25-22)29-10-9-27-7-3-4-8-27/h3-10,12H,11,13H2,1-2H3,(H,26,27,28);4-6,8,10-14H,3,7,9H2,1-2H3,(H,25,26,27);4-5,8-12H,6-7H2,1-3H3,(H,24,25,27);5-6,11-14H,3-4,7-10H2,1-2H3,(H,24,25,26)
• InChIKey: BRFVCIXYFVQITK-UHFFFAOYSA-N
• XLogP: 19.15
• TPSA: 277.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1661.85
LogP ≤ 5	19.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzodioxol-5-ylmethoxy)-N-(2-fluoro-4-methylphenyl)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[2-(2-methyl-1,3-thiazol-4-yl)ethoxy]quinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine?

The IUPAC name of 7-(1,3-benzodioxol-5-ylmethoxy)-N-(2-fluoro-4-methylphenyl)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[2-(2-methyl-1,3-thiazol-4-yl)ethoxy]quinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine (CID 157437112) is 7-(1,3-benzodioxol-5-ylmethoxy)-N-(2-fluoro-4-methylphenyl)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[2-(2-methyl-1,3-thiazol-4-yl)ethoxy]quinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine.

What is the SMILES notation for 7-(1,3-benzodioxol-5-ylmethoxy)-N-(2-fluoro-4-methylphenyl)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[2-(2-methyl-1,3-thiazol-4-yl)ethoxy]quinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine?

The canonical SMILES for 7-(1,3-benzodioxol-5-ylmethoxy)-N-(2-fluoro-4-methylphenyl)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[2-(2-methyl-1,3-thiazol-4-yl)ethoxy]quinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine is COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCCN1CCCC1.COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCCc1csc(C)n1.COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCc1ccc2c(c1)OCO2.COc1cc2c(Nc3ccc(F)c(C)c3)ncnc2cc1OCCCn1ccnc1.

What is the InChIKey of 7-(1,3-benzodioxol-5-ylmethoxy)-N-(2-fluoro-4-methylphenyl)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[2-(2-methyl-1,3-thiazol-4-yl)ethoxy]quinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine?

The InChIKey is BRFVCIXYFVQITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4.C22H22FN5O2.C22H21FN4O2S.C22H25FN4O2/c1-14-3-5-18(17(25)7-14)28-24-16-9-21(29-2)23(10-19(16)26-12-27-24)30-11-15-4-6-20-22(8-15)32-13-31-20;1-15-10-16(4-5-18(15)23)27-22-17-11-20(29-2)21(12-19(17)25-13-26-22)30-9-3-7-28-8-6-24-14-28;1-13-4-5-18(17(23)8-13)27-22-16-9-20(28-3)21(10-19(16)24-12-25-22)29-7-6-15-11-30-14(2)26-15;1-15-5-6-18(17(23)11-15)26-22-16-12-20(28-2)21(13-19(16)24-14-25-22)29-10-9-27-7-3-4-8-27/h3-10,12H,11,13H2,1-2H3,(H,26,27,28);4-6,8,10-14H,3,7,9H2,1-2H3,(H,25,26,27);4-5,8-12H,6-7H2,1-3H3,(H,24,25,27);5-6,11-14H,3-4,7-10H2,1-2H3,(H,24,25,26).

What are the key properties of 7-(1,3-benzodioxol-5-ylmethoxy)-N-(2-fluoro-4-methylphenyl)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[2-(2-methyl-1,3-thiazol-4-yl)ethoxy]quinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine?

7-(1,3-benzodioxol-5-ylmethoxy)-N-(2-fluoro-4-methylphenyl)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[2-(2-methyl-1,3-thiazol-4-yl)ethoxy]quinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine has a molecular weight of 1661.85 g/mol, XLogP of 19.15, 28 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,3-benzodioxol-5-ylmethoxy)-N-(2-fluoro-4-methylphenyl)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[2-(2-methyl-1,3-thiazol-4-yl)ethoxy]quinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine is sourced from PubChem (CID 157437112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).