4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethyl-2-piperidin-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-phenylquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-pyrrol-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-(3H-pyrrol-5-yl)quinoline

C104H142N12O4 — CID 157469878

IUPAC4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethyl-2-piperidin-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-phenylquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-pyrrol-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-(3H-pyrrol-5-yl)quinoline
SMILESCC(C)(C)C1CC(Oc2cc(-n3cccc3)nc3ccccc23)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2cc(C3=CCC=N3)nc3ccccc23)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2nc(-c3ccccc3)nc3ccccc23)CN1C(C)(C)C.Cc1cc2nc(N3CCCCC3)cc(OC3CC(C(C)(C)C)N(C(C)(C)C)C3)c2cc1C
InChIInChI=1S/C28H43N3O.C26H33N3O.2C25H33N3O/c1-19-14-22-23(15-20(19)2)29-26(30-12-10-9-11-13-30)17-24(22)32-21-16-25(27(3,4)5)31(18-21)28(6,7)8;1-25(2,3)22-16-19(17-29(22)26(4,5)6)30-24-20-14-10-11-15-21(20)27-23(28-24)18-12-8-7-9-13-18;1-24(2,3)22-15-18(17-28(22)25(4,5)6)29-21-16-23(27-13-9-10-14-27)26-20-12-8-7-11-19(20)21;1-24(2,3)23-14-17(16-28(23)25(4,5)6)29-22-15-21(20-12-9-13-26-20)27-19-11-8-7-10-18(19)22/h14-15,17,21,25H,9-13,16,18H2,1-8H3;7-15,19,22H,16-17H2,1-6H3;7-14,16,18,22H,15,17H2,1-6H3;7-8,10-13,15,17,23H,9,14,16H2,1-6H3
InChIKeyBUXHAGAOFKCRGK-UHFFFAOYSA-N
MW1624.36 g/mol
LogP23.88
Rot. Bonds12

About 4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethyl-2-piperidin-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-phenylquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-pyrrol-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-(3H-pyrrol-5-yl)quinoline

4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethyl-2-piperidin-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-phenylquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-pyrrol-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-(3H-pyrrol-5-yl)quinoline (PubChem CID 157469878) has the molecular formula C104H142N12O4 and a molecular weight of 1624.36 g/mol. Its IUPAC name is 4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethyl-2-piperidin-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-phenylquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-pyrrol-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-(3H-pyrrol-5-yl)quinoline.

Molecular Properties

Compound Name4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethyl-2-piperidin-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-phenylquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-pyrrol-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-(3H-pyrrol-5-yl)quinoline
PubChem CID157469878
Molecular FormulaC104H142N12O4
Molecular Weight1624.36 g/mol
Exact Mass1623.13
IUPAC Name4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethyl-2-piperidin-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-phenylquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-pyrrol-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-(3H-pyrrol-5-yl)quinoline
SMILESCC(C)(C)C1CC(Oc2cc(-n3cccc3)nc3ccccc23)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2cc(C3=CCC=N3)nc3ccccc23)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2nc(-c3ccccc3)nc3ccccc23)CN1C(C)(C)C.Cc1cc2nc(N3CCCCC3)cc(OC3CC(C(C)(C)C)N(C(C)(C)C)C3)c2cc1C
InChIInChI=1S/C28H43N3O.C26H33N3O.2C25H33N3O/c1-19-14-22-23(15-20(19)2)29-26(30-12-10-9-11-13-30)17-24(22)32-21-16-25(27(3,4)5)31(18-21)28(6,7)8;1-25(2,3)22-16-19(17-29(22)26(4,5)6)30-24-20-14-10-11-15-21(20)27-23(28-24)18-12-8-7-9-13-18;1-24(2,3)22-15-18(17-28(22)25(4,5)6)29-21-16-23(27-13-9-10-14-27)26-20-12-8-7-11-19(20)21;1-24(2,3)23-14-17(16-28(23)25(4,5)6)29-22-15-21(20-12-9-13-26-20)27-19-11-8-7-10-18(19)22/h14-15,17,21,25H,9-13,16,18H2,1-8H3;7-15,19,22H,16-17H2,1-6H3;7-14,16,18,22H,15,17H2,1-6H3;7-8,10-13,15,17,23H,9,14,16H2,1-6H3
InChIKeyBUXHAGAOFKCRGK-UHFFFAOYSA-N
XLogP23.88
TPSA134.86 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001624.36
LogP ≤ 523.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethyl-2-piperidin-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-phenylquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-pyrrol-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-(3H-pyrrol-5-yl)quinoline with MolForge

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Related Compounds

7-(4-Tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine;7-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-ylimidazo[1,2-a]pyridine;4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline;7-(4-phenoxyphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine;7-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine
CID 157082291
9-[4-Carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine
CID 157336625
4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(4-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157675277
2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-4,6-dimethyl-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-6-methyl-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-methoxy-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyrazin-2-yl-1H-carbazol-1-ide;tetrakis(platinum(2+))
CID 157877087
10-[2,5-Bis[3-methyl-5-(trifluoromethyl)phenyl]-4-phenoxazin-10-ylphenyl]phenoxazine;9-[4-carbazol-9-yl-2,3-di(pyrimidin-2-yl)phenyl]carbazole;5-[3,6-di(carbazol-9-yl)-2-(3-cyano-5-isocyanophenyl)phenyl]benzene-1,3-dicarbonitrile;4-[3,6-di(carbazol-9-yl)-2-(4-isocyanophenyl)phenyl]benzonitrile
CID 158341768
9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;pentakis(platinum(2+));9-pyrazin-2-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-2-yl-1H-carbazol-1-ide
CID 158516879
2-Benzyl-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-phenoxy-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile
CID 158706826
N,N-dimethyl-2-[3-[6-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzene-2-id-1-yl]oxypyridin-4-amine;N,N-dimethyl-2-[3-[6-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]oxypyridin-4-amine;N,N-dimethyl-2-[3-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]oxypyridin-4-amine;pentakis(platinum(2+));N,N,5-trimethyl-2-[3-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzene-2-id-1-yl]oxypyridin-3-amine;N,N,5-trimethyl-2-[3-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzene-2-id-1-yl]oxypyridin-4-amine
CID 159430460
1-Tert-butyl-9-(1-propan-2-ylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylpyrrol-2-yl)pyridin-1-ium;2-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium
CID 160392574
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 160634611
7-Chloro-4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2,8-bis(trifluoromethyl)quinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethyl-2-piperidin-1-ylquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-methylquinolin-2-amine;bis(4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-methylquinoline);4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-pyrrol-1-ylquinazoline
CID 160773205
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine
CID 161004567

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethyl-2-piperidin-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-phenylquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-pyrrol-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-(3H-pyrrol-5-yl)quinoline?
The IUPAC name of 4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethyl-2-piperidin-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-phenylquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-pyrrol-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-(3H-pyrrol-5-yl)quinoline (CID 157469878) is 4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethyl-2-piperidin-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-phenylquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-pyrrol-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-(3H-pyrrol-5-yl)quinoline.
What is the SMILES notation for 4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethyl-2-piperidin-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-phenylquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-pyrrol-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-(3H-pyrrol-5-yl)quinoline?
The canonical SMILES for 4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethyl-2-piperidin-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-phenylquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-pyrrol-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-(3H-pyrrol-5-yl)quinoline is CC(C)(C)C1CC(Oc2cc(-n3cccc3)nc3ccccc23)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2cc(C3=CCC=N3)nc3ccccc23)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2nc(-c3ccccc3)nc3ccccc23)CN1C(C)(C)C.Cc1cc2nc(N3CCCCC3)cc(OC3CC(C(C)(C)C)N(C(C)(C)C)C3)c2cc1C.
What is the InChIKey of 4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethyl-2-piperidin-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-phenylquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-pyrrol-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-(3H-pyrrol-5-yl)quinoline?
The InChIKey is BUXHAGAOFKCRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N3O.C26H33N3O.2C25H33N3O/c1-19-14-22-23(15-20(19)2)29-26(30-12-10-9-11-13-30)17-24(22)32-21-16-25(27(3,4)5)31(18-21)28(6,7)8;1-25(2,3)22-16-19(17-29(22)26(4,5)6)30-24-20-14-10-11-15-21(20)27-23(28-24)18-12-8-7-9-13-18;1-24(2,3)22-15-18(17-28(22)25(4,5)6)29-21-16-23(27-13-9-10-14-27)26-20-12-8-7-11-19(20)21;1-24(2,3)23-14-17(16-28(23)25(4,5)6)29-22-15-21(20-12-9-13-26-20)27-19-11-8-7-10-18(19)22/h14-15,17,21,25H,9-13,16,18H2,1-8H3;7-15,19,22H,16-17H2,1-6H3;7-14,16,18,22H,15,17H2,1-6H3;7-8,10-13,15,17,23H,9,14,16H2,1-6H3.
What are the key properties of 4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethyl-2-piperidin-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-phenylquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-pyrrol-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-(3H-pyrrol-5-yl)quinoline?
4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethyl-2-piperidin-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-phenylquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-pyrrol-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-(3H-pyrrol-5-yl)quinoline has a molecular weight of 1624.36 g/mol, XLogP of 23.88, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethyl-2-piperidin-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-phenylquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-pyrrol-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-(3H-pyrrol-5-yl)quinoline is sourced from PubChem (CID 157469878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).