6-[3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine

C130H145F5N26O12S — CID 158852216

About 6-[3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine

6-[3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine (PubChem CID 158852216) has the molecular formula C130H145F5N26O12S and a molecular weight of 2390.82 g/mol. Its IUPAC name is 6-[3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine.

Molecular Properties

• Compound Name: 6-[3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine
• PubChem CID: 158852216
• Molecular Formula: C130H145F5N26O12S
• Molecular Weight: 2390.82 g/mol
• Exact Mass: 2389.12
• IUPAC Name: 6-[3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine
• SMILES: COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCCC2CNCC21.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCc2nc(C)[nH]c2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCc2nc(C)oc2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCc2nc(C)sc2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCc2oc(C)nc2C1
• InChI: InChI=1S/C26H29FN6O2.2C26H28FN5O3.C26H28FN5O2S.C26H32FN5O2/c1-16-11-18(5-6-20(16)27)32-26-19-12-25(24(34-3)13-22(19)28-15-29-26)35-10-4-8-33-9-7-21-23(14-33)31-17(2)30-21;1-16-11-18(5-6-20(16)27)31-26-19-12-25(24(33-3)13-21(19)28-15-29-26)34-10-4-8-32-9-7-23-22(14-32)30-17(2)35-23;2*1-16-11-18(5-6-20(16)27)31-26-19-12-24(23(33-3)13-22(19)28-15-29-26)34-10-4-8-32-9-7-21-25(14-32)35-17(2)30-21;1-17-11-19(6-7-21(17)27)31-26-20-12-25(24(33-2)13-22(20)29-16-30-26)34-10-4-9-32-8-3-5-18-14-28-15-23(18)32/h5-6,11-13,15H,4,7-10,14H2,1-3H3,(H,30,31)(H,28,29,32);3*5-6,11-13,15H,4,7-10,14H2,1-3H3,(H,28,29,31);6-7,11-13,16,18,23,28H,3-5,8-10,14-15H2,1-2H3,(H,29,30,31)
• InChIKey: IZPHROZBNGRTIB-UHFFFAOYSA-N
• XLogP: 24.30
• TPSA: 403.21 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 40
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2390.82
LogP ≤ 5	24.30
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine?

The IUPAC name of 6-[3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine (CID 158852216) is 6-[3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine.

What is the SMILES notation for 6-[3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine?

The canonical SMILES for 6-[3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine is COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCCC2CNCC21.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCc2nc(C)[nH]c2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCc2nc(C)oc2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCc2nc(C)sc2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCc2oc(C)nc2C1.

What is the InChIKey of 6-[3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine?

The InChIKey is IZPHROZBNGRTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O2.2C26H28FN5O3.C26H28FN5O2S.C26H32FN5O2/c1-16-11-18(5-6-20(16)27)32-26-19-12-25(24(34-3)13-22(19)28-15-29-26)35-10-4-8-33-9-7-21-23(14-33)31-17(2)30-21;1-16-11-18(5-6-20(16)27)31-26-19-12-25(24(33-3)13-21(19)28-15-29-26)34-10-4-8-32-9-7-23-22(14-32)30-17(2)35-23;2*1-16-11-18(5-6-20(16)27)31-26-19-12-24(23(33-3)13-22(19)28-15-29-26)34-10-4-8-32-9-7-21-25(14-32)35-17(2)30-21;1-17-11-19(6-7-21(17)27)31-26-20-12-25(24(33-2)13-22(20)29-16-30-26)34-10-4-9-32-8-3-5-18-14-28-15-23(18)32/h5-6,11-13,15H,4,7-10,14H2,1-3H3,(H,30,31)(H,28,29,32);3*5-6,11-13,15H,4,7-10,14H2,1-3H3,(H,28,29,31);6-7,11-13,16,18,23,28H,3-5,8-10,14-15H2,1-2H3,(H,29,30,31).

What are the key properties of 6-[3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine?

6-[3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine has a molecular weight of 2390.82 g/mol, XLogP of 24.30, 40 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine is sourced from PubChem (CID 158852216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).