1-tert-butyl-6-methoxyisoquinoline;2-(4-tert-butyl-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;1-(3,3-dimethylbutan-2-yl)naphthalene;3-(2,2-dimethylpropyl)pyridine;methane;2-methyl-5-(2-propan-2-ylphenyl)furan;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrolidine

C125H163F3N8O3S — CID 161058185

IUPAC1-tert-butyl-6-methoxyisoquinoline;2-(4-tert-butyl-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;1-(3,3-dimethylbutan-2-yl)naphthalene;3-(2,2-dimethylpropyl)pyridine;methane;2-methyl-5-(2-propan-2-ylphenyl)furan;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrolidine
SMILESC.CC(C)(C)Cc1cccnc1.CC(C)(C)c1ccccn1.CC(C)N1CCCc2ccccc21.CC(C)c1cc(C(F)(F)F)ccc1N1CCCC1.CC(c1cccc2ccccc12)C(C)(C)C.COc1ccc2c(C(C)(C)C)cc(-c3nc(C(C)C)cs3)nc2c1C.COc1ccc2c(C(C)(C)C)nccc2c1.Cc1ccc(-c2ccccc2C(C)C)o1.Cc1ccc(-n2cccc2)c(C(C)C)c1
InChIInChI=1S/C21H26N2OS.C16H20.C14H18F3N.C14H17NO.C14H17N.C14H16O.C12H17N.C10H15N.C9H13N.CH4/c1-12(2)17-11-25-20(23-17)16-10-15(21(4,5)6)14-8-9-18(24-7)13(3)19(14)22-16;1-12(16(2,3)4)14-11-7-9-13-8-5-6-10-15(13)14;1-10(2)12-9-11(14(15,16)17)5-6-13(12)18-7-3-4-8-18;1-14(2,3)13-12-6-5-11(16-4)9-10(12)7-8-15-13;1-11(2)13-10-12(3)6-7-14(13)15-8-4-5-9-15;1-10(2)12-6-4-5-7-13(12)14-9-8-11(3)15-14;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2,3)7-9-5-4-6-11-8-9;1-9(2,3)8-6-4-5-7-10-8;/h8-12H,1-7H3;5-12H,1-4H3;5-6,9-10H,3-4,7-8H2,1-2H3;5-9H,1-4H3;4-11H,1-3H3;4-10H,1-3H3;3-4,6,8,10H,5,7,9H2,1-2H3;4-6,8H,7H2,1-3H3;4-7H,1-3H3;1H4
InChIKeyUDAOYLNZYBMJHV-UHFFFAOYSA-N
MW1914.79 g/mol
LogP35.88
Rot. Bonds13

About 1-tert-butyl-6-methoxyisoquinoline;2-(4-tert-butyl-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;1-(3,3-dimethylbutan-2-yl)naphthalene;3-(2,2-dimethylpropyl)pyridine;methane;2-methyl-5-(2-propan-2-ylphenyl)furan;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrolidine

1-tert-butyl-6-methoxyisoquinoline;2-(4-tert-butyl-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;1-(3,3-dimethylbutan-2-yl)naphthalene;3-(2,2-dimethylpropyl)pyridine;methane;2-methyl-5-(2-propan-2-ylphenyl)furan;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 161058185) has the molecular formula C125H163F3N8O3S and a molecular weight of 1914.79 g/mol. Its IUPAC name is 1-tert-butyl-6-methoxyisoquinoline;2-(4-tert-butyl-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;1-(3,3-dimethylbutan-2-yl)naphthalene;3-(2,2-dimethylpropyl)pyridine;methane;2-methyl-5-(2-propan-2-ylphenyl)furan;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-6-methoxyisoquinoline;2-(4-tert-butyl-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;1-(3,3-dimethylbutan-2-yl)naphthalene;3-(2,2-dimethylpropyl)pyridine;methane;2-methyl-5-(2-propan-2-ylphenyl)furan;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID161058185
Molecular FormulaC125H163F3N8O3S
Molecular Weight1914.79 g/mol
Exact Mass1913.25
IUPAC Name1-tert-butyl-6-methoxyisoquinoline;2-(4-tert-butyl-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;1-(3,3-dimethylbutan-2-yl)naphthalene;3-(2,2-dimethylpropyl)pyridine;methane;2-methyl-5-(2-propan-2-ylphenyl)furan;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrolidine
SMILESC.CC(C)(C)Cc1cccnc1.CC(C)(C)c1ccccn1.CC(C)N1CCCc2ccccc21.CC(C)c1cc(C(F)(F)F)ccc1N1CCCC1.CC(c1cccc2ccccc12)C(C)(C)C.COc1ccc2c(C(C)(C)C)cc(-c3nc(C(C)C)cs3)nc2c1C.COc1ccc2c(C(C)(C)C)nccc2c1.Cc1ccc(-c2ccccc2C(C)C)o1.Cc1ccc(-n2cccc2)c(C(C)C)c1
InChIInChI=1S/C21H26N2OS.C16H20.C14H18F3N.C14H17NO.C14H17N.C14H16O.C12H17N.C10H15N.C9H13N.CH4/c1-12(2)17-11-25-20(23-17)16-10-15(21(4,5)6)14-8-9-18(24-7)13(3)19(14)22-16;1-12(16(2,3)4)14-11-7-9-13-8-5-6-10-15(13)14;1-10(2)12-9-11(14(15,16)17)5-6-13(12)18-7-3-4-8-18;1-14(2,3)13-12-6-5-11(16-4)9-10(12)7-8-15-13;1-11(2)13-10-12(3)6-7-14(13)15-8-4-5-9-15;1-10(2)12-6-4-5-7-13(12)14-9-8-11(3)15-14;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2,3)7-9-5-4-6-11-8-9;1-9(2,3)8-6-4-5-7-10-8;/h8-12H,1-7H3;5-12H,1-4H3;5-6,9-10H,3-4,7-8H2,1-2H3;5-9H,1-4H3;4-11H,1-3H3;4-10H,1-3H3;3-4,6,8,10H,5,7,9H2,1-2H3;4-6,8H,7H2,1-3H3;4-7H,1-3H3;1H4
InChIKeyUDAOYLNZYBMJHV-UHFFFAOYSA-N
XLogP35.88
TPSA107.46 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001914.79
LogP ≤ 535.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-tert-butyl-6-methoxyisoquinoline;2-(4-tert-butyl-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;1-(3,3-dimethylbutan-2-yl)naphthalene;3-(2,2-dimethylpropyl)pyridine;methane;2-methyl-5-(2-propan-2-ylphenyl)furan;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-methoxyisoquinoline;2-(4-tert-butyl-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;1-(3,3-dimethylbutan-2-yl)naphthalene;3-(2,2-dimethylpropyl)pyridine;methane;2-methyl-5-(2-propan-2-ylphenyl)furan;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 1-tert-butyl-6-methoxyisoquinoline;2-(4-tert-butyl-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;1-(3,3-dimethylbutan-2-yl)naphthalene;3-(2,2-dimethylpropyl)pyridine;methane;2-methyl-5-(2-propan-2-ylphenyl)furan;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrolidine (CID 161058185) is 1-tert-butyl-6-methoxyisoquinoline;2-(4-tert-butyl-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;1-(3,3-dimethylbutan-2-yl)naphthalene;3-(2,2-dimethylpropyl)pyridine;methane;2-methyl-5-(2-propan-2-ylphenyl)furan;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-tert-butyl-6-methoxyisoquinoline;2-(4-tert-butyl-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;1-(3,3-dimethylbutan-2-yl)naphthalene;3-(2,2-dimethylpropyl)pyridine;methane;2-methyl-5-(2-propan-2-ylphenyl)furan;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-tert-butyl-6-methoxyisoquinoline;2-(4-tert-butyl-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;1-(3,3-dimethylbutan-2-yl)naphthalene;3-(2,2-dimethylpropyl)pyridine;methane;2-methyl-5-(2-propan-2-ylphenyl)furan;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrolidine is C.CC(C)(C)Cc1cccnc1.CC(C)(C)c1ccccn1.CC(C)N1CCCc2ccccc21.CC(C)c1cc(C(F)(F)F)ccc1N1CCCC1.CC(c1cccc2ccccc12)C(C)(C)C.COc1ccc2c(C(C)(C)C)cc(-c3nc(C(C)C)cs3)nc2c1C.COc1ccc2c(C(C)(C)C)nccc2c1.Cc1ccc(-c2ccccc2C(C)C)o1.Cc1ccc(-n2cccc2)c(C(C)C)c1.
What is the InChIKey of 1-tert-butyl-6-methoxyisoquinoline;2-(4-tert-butyl-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;1-(3,3-dimethylbutan-2-yl)naphthalene;3-(2,2-dimethylpropyl)pyridine;methane;2-methyl-5-(2-propan-2-ylphenyl)furan;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is UDAOYLNZYBMJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS.C16H20.C14H18F3N.C14H17NO.C14H17N.C14H16O.C12H17N.C10H15N.C9H13N.CH4/c1-12(2)17-11-25-20(23-17)16-10-15(21(4,5)6)14-8-9-18(24-7)13(3)19(14)22-16;1-12(16(2,3)4)14-11-7-9-13-8-5-6-10-15(13)14;1-10(2)12-9-11(14(15,16)17)5-6-13(12)18-7-3-4-8-18;1-14(2,3)13-12-6-5-11(16-4)9-10(12)7-8-15-13;1-11(2)13-10-12(3)6-7-14(13)15-8-4-5-9-15;1-10(2)12-6-4-5-7-13(12)14-9-8-11(3)15-14;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2,3)7-9-5-4-6-11-8-9;1-9(2,3)8-6-4-5-7-10-8;/h8-12H,1-7H3;5-12H,1-4H3;5-6,9-10H,3-4,7-8H2,1-2H3;5-9H,1-4H3;4-11H,1-3H3;4-10H,1-3H3;3-4,6,8,10H,5,7,9H2,1-2H3;4-6,8H,7H2,1-3H3;4-7H,1-3H3;1H4.
What are the key properties of 1-tert-butyl-6-methoxyisoquinoline;2-(4-tert-butyl-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;1-(3,3-dimethylbutan-2-yl)naphthalene;3-(2,2-dimethylpropyl)pyridine;methane;2-methyl-5-(2-propan-2-ylphenyl)furan;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrolidine?
1-tert-butyl-6-methoxyisoquinoline;2-(4-tert-butyl-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;1-(3,3-dimethylbutan-2-yl)naphthalene;3-(2,2-dimethylpropyl)pyridine;methane;2-methyl-5-(2-propan-2-ylphenyl)furan;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 1914.79 g/mol, XLogP of 35.88, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-methoxyisoquinoline;2-(4-tert-butyl-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;1-(3,3-dimethylbutan-2-yl)naphthalene;3-(2,2-dimethylpropyl)pyridine;methane;2-methyl-5-(2-propan-2-ylphenyl)furan;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 161058185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).