6-[3-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]quinazolin-4-amine

C153H182F6N26O19 — CID 158811141

IUPAC6-[3-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2CCCOC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2CCOCC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2COCC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2NCCOC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2OCCN(C)C2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2OCCOC2C1
InChIInChI=1S/C26H32FN5O3.2C26H31FN4O3.C25H30FN5O3.C25H29FN4O4.C25H29FN4O3/c1-17-11-18(5-6-20(17)27)30-26-19-12-24(23(33-3)13-21(19)28-16-29-26)34-9-4-7-32-14-22-25(15-32)35-10-8-31(22)2;1-17-10-20(4-5-22(17)27)30-26-21-11-25(24(32-2)12-23(21)28-16-29-26)34-8-3-7-31-13-18-6-9-33-15-19(18)14-31;1-17-11-19(6-7-21(17)27)30-26-20-12-24(23(32-2)13-22(20)28-16-29-26)33-10-4-8-31-14-18-5-3-9-34-25(18)15-31;1-16-10-17(4-5-19(16)26)30-25-18-11-23(22(32-2)12-20(18)28-15-29-25)33-8-3-7-31-13-21-24(14-31)34-9-6-27-21;1-16-10-17(4-5-19(16)26)29-25-18-11-22(21(31-2)12-20(18)27-15-28-25)32-7-3-6-30-13-23-24(14-30)34-9-8-33-23;1-16-8-19(4-5-21(16)26)29-25-20-9-24(23(31-2)10-22(20)27-15-28-25)33-7-3-6-30-11-17-13-32-14-18(17)12-30/h5-6,11-13,16,22,25H,4,7-10,14-15H2,1-3H3,(H,28,29,30);4-5,10-12,16,18-19H,3,6-9,13-15H2,1-2H3,(H,28,29,30);6-7,11-13,16,18,25H,3-5,8-10,14-15H2,1-2H3,(H,28,29,30);4-5,10-12,15,21,24,27H,3,6-9,13-14H2,1-2H3,(H,28,29,30);4-5,10-12,15,23-24H,3,6-9,13-14H2,1-2H3,(H,27,28,29);4-5,8-10,15,17-18H,3,6-7,11-14H2,1-2H3,(H,27,28,29)
InChIKeyIURXYUPGEZSNTE-UHFFFAOYSA-N
MW2803.29 g/mol
LogP24.03
Rot. Bonds48

About 6-[3-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]quinazolin-4-amine

6-[3-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]quinazolin-4-amine (PubChem CID 158811141) has the molecular formula C153H182F6N26O19 and a molecular weight of 2803.29 g/mol. Its IUPAC name is 6-[3-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]quinazolin-4-amine.

Molecular Properties

Compound Name6-[3-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]quinazolin-4-amine
PubChem CID158811141
Molecular FormulaC153H182F6N26O19
Molecular Weight2803.29 g/mol
Exact Mass2801.40
IUPAC Name6-[3-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2CCCOC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2CCOCC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2COCC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2NCCOC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2OCCN(C)C2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2OCCOC2C1
InChIInChI=1S/C26H32FN5O3.2C26H31FN4O3.C25H30FN5O3.C25H29FN4O4.C25H29FN4O3/c1-17-11-18(5-6-20(17)27)30-26-19-12-24(23(33-3)13-21(19)28-16-29-26)34-9-4-7-32-14-22-25(15-32)35-10-8-31(22)2;1-17-10-20(4-5-22(17)27)30-26-21-11-25(24(32-2)12-23(21)28-16-29-26)34-8-3-7-31-13-18-6-9-33-15-19(18)14-31;1-17-11-19(6-7-21(17)27)30-26-20-12-24(23(32-2)13-22(20)28-16-29-26)33-10-4-8-31-14-18-5-3-9-34-25(18)15-31;1-16-10-17(4-5-19(16)26)30-25-18-11-23(22(32-2)12-20(18)28-15-29-25)33-8-3-7-31-13-21-24(14-31)34-9-6-27-21;1-16-10-17(4-5-19(16)26)29-25-18-11-22(21(31-2)12-20(18)27-15-28-25)32-7-3-6-30-13-23-24(14-30)34-9-8-33-23;1-16-8-19(4-5-21(16)26)29-25-20-9-24(23(31-2)10-22(20)27-15-28-25)33-7-3-6-30-11-17-13-32-14-18(17)12-30/h5-6,11-13,16,22,25H,4,7-10,14-15H2,1-3H3,(H,28,29,30);4-5,10-12,16,18-19H,3,6-9,13-15H2,1-2H3,(H,28,29,30);6-7,11-13,16,18,25H,3-5,8-10,14-15H2,1-2H3,(H,28,29,30);4-5,10-12,15,21,24,27H,3,6-9,13-14H2,1-2H3,(H,28,29,30);4-5,10-12,15,23-24H,3,6-9,13-14H2,1-2H3,(H,27,28,29);4-5,8-10,15,17-18H,3,6-7,11-14H2,1-2H3,(H,27,28,29)
InChIKeyIURXYUPGEZSNTE-UHFFFAOYSA-N
XLogP24.03
TPSA436.94 Ų
H-Bond Donors7
H-Bond Acceptors45
Rotatable Bonds48
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002803.29
LogP ≤ 524.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze 6-[3-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]quinazolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]quinazolin-4-amine?
The IUPAC name of 6-[3-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]quinazolin-4-amine (CID 158811141) is 6-[3-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]quinazolin-4-amine.
What is the SMILES notation for 6-[3-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]quinazolin-4-amine?
The canonical SMILES for 6-[3-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]quinazolin-4-amine is COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2CCCOC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2CCOCC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2COCC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2NCCOC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2OCCN(C)C2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2OCCOC2C1.
What is the InChIKey of 6-[3-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]quinazolin-4-amine?
The InChIKey is IURXYUPGEZSNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O3.2C26H31FN4O3.C25H30FN5O3.C25H29FN4O4.C25H29FN4O3/c1-17-11-18(5-6-20(17)27)30-26-19-12-24(23(33-3)13-21(19)28-16-29-26)34-9-4-7-32-14-22-25(15-32)35-10-8-31(22)2;1-17-10-20(4-5-22(17)27)30-26-21-11-25(24(32-2)12-23(21)28-16-29-26)34-8-3-7-31-13-18-6-9-33-15-19(18)14-31;1-17-11-19(6-7-21(17)27)30-26-20-12-24(23(32-2)13-22(20)28-16-29-26)33-10-4-8-31-14-18-5-3-9-34-25(18)15-31;1-16-10-17(4-5-19(16)26)30-25-18-11-23(22(32-2)12-20(18)28-15-29-25)33-8-3-7-31-13-21-24(14-31)34-9-6-27-21;1-16-10-17(4-5-19(16)26)29-25-18-11-22(21(31-2)12-20(18)27-15-28-25)32-7-3-6-30-13-23-24(14-30)34-9-8-33-23;1-16-8-19(4-5-21(16)26)29-25-20-9-24(23(31-2)10-22(20)27-15-28-25)33-7-3-6-30-11-17-13-32-14-18(17)12-30/h5-6,11-13,16,22,25H,4,7-10,14-15H2,1-3H3,(H,28,29,30);4-5,10-12,16,18-19H,3,6-9,13-15H2,1-2H3,(H,28,29,30);6-7,11-13,16,18,25H,3-5,8-10,14-15H2,1-2H3,(H,28,29,30);4-5,10-12,15,21,24,27H,3,6-9,13-14H2,1-2H3,(H,28,29,30);4-5,10-12,15,23-24H,3,6-9,13-14H2,1-2H3,(H,27,28,29);4-5,8-10,15,17-18H,3,6-7,11-14H2,1-2H3,(H,27,28,29).
What are the key properties of 6-[3-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]quinazolin-4-amine?
6-[3-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]quinazolin-4-amine has a molecular weight of 2803.29 g/mol, XLogP of 24.03, 48 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propoxy]quinazolin-4-amine is sourced from PubChem (CID 158811141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).