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

C154H187F6N29O12 — CID 159165545

IUPAC6-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]quinazolin-4-amine
SMILESCCN1CC2CN(CCCOc3cc4c(Nc5ccc(F)c(C)c5)ncnc4cc3OC)CC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2CCCC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2CCNC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2CN(C)CC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2CNCC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCC2NCCC21
InChIInChI=1S/C27H34FN5O2.C26H32FN5O2.C26H31FN4O2.3C25H30FN5O2/c1-4-32-13-19-15-33(16-20(19)14-32)8-5-9-35-26-11-22-24(12-25(26)34-3)29-17-30-27(22)31-21-6-7-23(28)18(2)10-21;1-17-9-20(5-6-22(17)27)30-26-21-10-25(24(33-3)11-23(21)28-16-29-26)34-8-4-7-32-14-18-12-31(2)13-19(18)15-32;1-17-11-20(7-8-22(17)27)30-26-21-12-25(24(32-2)13-23(21)28-16-29-26)33-10-4-9-31-14-18-5-3-6-19(18)15-31;1-16-12-17(4-5-19(16)26)30-25-18-13-24(23(32-2)14-21(18)28-15-29-25)33-11-3-9-31-10-7-20-22(31)6-8-27-20;1-16-10-18(4-5-20(16)26)30-25-19-11-24(23(32-2)12-21(19)28-15-29-25)33-9-3-8-31-13-17-6-7-27-22(17)14-31;1-16-8-19(4-5-21(16)26)30-25-20-9-24(23(32-2)10-22(20)28-15-29-25)33-7-3-6-31-13-17-11-27-12-18(17)14-31/h6-7,10-12,17,19-20H,4-5,8-9,13-16H2,1-3H3,(H,29,30,31);5-6,9-11,16,18-19H,4,7-8,12-15H2,1-3H3,(H,28,29,30);7-8,11-13,16,18-19H,3-6,9-10,14-15H2,1-2H3,(H,28,29,30);4-5,12-15,20,22,27H,3,6-11H2,1-2H3,(H,28,29,30);4-5,10-12,15,17,22,27H,3,6-9,13-14H2,1-2H3,(H,28,29,30);4-5,8-10,15,17-18,27H,3,6-7,11-14H2,1-2H3,(H,28,29,30)
InChIKeyKLADFGDVQZKZSW-UHFFFAOYSA-N
MW2750.37 g/mol
LogP25.58
Rot. Bonds49

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

6-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]quinazolin-4-amine (PubChem CID 159165545) has the molecular formula C154H187F6N29O12 and a molecular weight of 2750.37 g/mol. Its IUPAC name is 6-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]quinazolin-4-amine.

Molecular Properties

Compound Name6-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]quinazolin-4-amine
PubChem CID159165545
Molecular FormulaC154H187F6N29O12
Molecular Weight2750.37 g/mol
Exact Mass2748.48
IUPAC Name6-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]quinazolin-4-amine
SMILESCCN1CC2CN(CCCOc3cc4c(Nc5ccc(F)c(C)c5)ncnc4cc3OC)CC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2CCCC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2CCNC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2CN(C)CC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2CNCC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCC2NCCC21
InChIInChI=1S/C27H34FN5O2.C26H32FN5O2.C26H31FN4O2.3C25H30FN5O2/c1-4-32-13-19-15-33(16-20(19)14-32)8-5-9-35-26-11-22-24(12-25(26)34-3)29-17-30-27(22)31-21-6-7-23(28)18(2)10-21;1-17-9-20(5-6-22(17)27)30-26-21-10-25(24(33-3)11-23(21)28-16-29-26)34-8-4-7-32-14-18-12-31(2)13-19(18)15-32;1-17-11-20(7-8-22(17)27)30-26-21-12-25(24(32-2)13-23(21)28-16-29-26)33-10-4-9-31-14-18-5-3-6-19(18)15-31;1-16-12-17(4-5-19(16)26)30-25-18-13-24(23(32-2)14-21(18)28-15-29-25)33-11-3-9-31-10-7-20-22(31)6-8-27-20;1-16-10-18(4-5-20(16)26)30-25-19-11-24(23(32-2)12-21(19)28-15-29-25)33-9-3-8-31-13-17-6-7-27-22(17)14-31;1-16-8-19(4-5-21(16)26)30-25-20-9-24(23(32-2)10-22(20)28-15-29-25)33-7-3-6-31-13-17-11-27-12-18(17)14-31/h6-7,10-12,17,19-20H,4-5,8-9,13-16H2,1-3H3,(H,29,30,31);5-6,9-11,16,18-19H,4,7-8,12-15H2,1-3H3,(H,28,29,30);7-8,11-13,16,18-19H,3-6,9-10,14-15H2,1-2H3,(H,28,29,30);4-5,12-15,20,22,27H,3,6-11H2,1-2H3,(H,28,29,30);4-5,10-12,15,17,22,27H,3,6-9,13-14H2,1-2H3,(H,28,29,30);4-5,8-10,15,17-18,27H,3,6-7,11-14H2,1-2H3,(H,28,29,30)
InChIKeyKLADFGDVQZKZSW-UHFFFAOYSA-N
XLogP25.58
TPSA399.63 Ų
H-Bond Donors9
H-Bond Acceptors41
Rotatable Bonds49
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002750.37
LogP ≤ 525.58
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

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

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Related Compounds

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
CID 90337699
6-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]-3,4,4a,5,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-2-one
CID 90337698
1-[1-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethanone
CID 90337658
N-(3-chloro-4-fluorophenyl)-6-[3-(6-ethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl)propoxy]-7-methoxyquinazolin-4-amine
CID 71571663
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(5-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl)propoxy]quinazolin-4-amine
CID 71571892
6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-bromo-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 71573152
6-[3-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]propoxy]-N-(3-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine;dihydrochloride
CID 161464071
6-[3-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]propoxy]-N-(3-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine;hydrochloride
CID 140765458
6-(3-aminopropoxy)-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine
CID 156814297
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
CID 90337684
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
CID 90337678
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(3-methoxypyrrolidin-1-yl)propoxy]quinazolin-4-amine
CID 25132295

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]quinazolin-4-amine?
The IUPAC name of 6-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]quinazolin-4-amine (CID 159165545) is 6-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]quinazolin-4-amine.
What is the SMILES notation for 6-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]quinazolin-4-amine?
The canonical SMILES for 6-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]quinazolin-4-amine is CCN1CC2CN(CCCOc3cc4c(Nc5ccc(F)c(C)c5)ncnc4cc3OC)CC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2CCCC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2CCNC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2CN(C)CC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CC2CNCC2C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCC2NCCC21.
What is the InChIKey of 6-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]quinazolin-4-amine?
The InChIKey is KLADFGDVQZKZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN5O2.C26H32FN5O2.C26H31FN4O2.3C25H30FN5O2/c1-4-32-13-19-15-33(16-20(19)14-32)8-5-9-35-26-11-22-24(12-25(26)34-3)29-17-30-27(22)31-21-6-7-23(28)18(2)10-21;1-17-9-20(5-6-22(17)27)30-26-21-10-25(24(33-3)11-23(21)28-16-29-26)34-8-4-7-32-14-18-12-31(2)13-19(18)15-32;1-17-11-20(7-8-22(17)27)30-26-21-12-25(24(32-2)13-23(21)28-16-29-26)33-10-4-9-31-14-18-5-3-6-19(18)15-31;1-16-12-17(4-5-19(16)26)30-25-18-13-24(23(32-2)14-21(18)28-15-29-25)33-11-3-9-31-10-7-20-22(31)6-8-27-20;1-16-10-18(4-5-20(16)26)30-25-19-11-24(23(32-2)12-21(19)28-15-29-25)33-9-3-8-31-13-17-6-7-27-22(17)14-31;1-16-8-19(4-5-21(16)26)30-25-20-9-24(23(32-2)10-22(20)28-15-29-25)33-7-3-6-31-13-17-11-27-12-18(17)14-31/h6-7,10-12,17,19-20H,4-5,8-9,13-16H2,1-3H3,(H,29,30,31);5-6,9-11,16,18-19H,4,7-8,12-15H2,1-3H3,(H,28,29,30);7-8,11-13,16,18-19H,3-6,9-10,14-15H2,1-2H3,(H,28,29,30);4-5,12-15,20,22,27H,3,6-11H2,1-2H3,(H,28,29,30);4-5,10-12,15,17,22,27H,3,6-9,13-14H2,1-2H3,(H,28,29,30);4-5,8-10,15,17-18,27H,3,6-7,11-14H2,1-2H3,(H,28,29,30).
What are the key properties of 6-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]quinazolin-4-amine?
6-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]quinazolin-4-amine has a molecular weight of 2750.37 g/mol, XLogP of 25.58, 49 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;6-[3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propoxy]quinazolin-4-amine is sourced from PubChem (CID 159165545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).