4-chloro-7-(methoxymethyl)-1-propan-2-ylisoquinoline;4-chloro-1-propan-2-ylisoquinoline;4-methoxy-7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-4-methyl-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)isoquinoline

C85H99Cl2F3N6O6 — CID 161041482

IUPAC4-chloro-7-(methoxymethyl)-1-propan-2-ylisoquinoline;4-chloro-1-propan-2-ylisoquinoline;4-methoxy-7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-4-methyl-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)isoquinoline
SMILESCC(C)c1ncc(Cl)c2ccccc12.COCc1ccc2c(C(F)(F)F)cnc(C(C)C)c2c1.COCc1ccc2c(C)cnc(C(C)C)c2c1.COCc1ccc2c(Cl)cnc(C(C)C)c2c1.COCc1ccc2c(OC)cnc(C(C)C)c2c1.COCc1ccc2ccnc(C(C)C)c2c1
InChIInChI=1S/C15H16F3NO.C15H19NO2.C15H19NO.C14H16ClNO.C14H17NO.C12H12ClN/c1-9(2)14-12-6-10(8-20-3)4-5-11(12)13(7-19-14)15(16,17)18;1-10(2)15-13-7-11(9-17-3)5-6-12(13)14(18-4)8-16-15;1-10(2)15-14-7-12(9-17-4)5-6-13(14)11(3)8-16-15;1-9(2)14-12-6-10(8-17-3)4-5-11(12)13(15)7-16-14;1-10(2)14-13-8-11(9-16-3)4-5-12(13)6-7-15-14;1-8(2)12-10-6-4-3-5-9(10)11(13)7-14-12/h4-7,9H,8H2,1-3H3;5-8,10H,9H2,1-4H3;5-8,10H,9H2,1-4H3;4-7,9H,8H2,1-3H3;4-8,10H,9H2,1-3H3;3-8H,1-2H3
InChIKeyUAYCDUDMXWEWLT-UHFFFAOYSA-N
MW1428.66 g/mol
LogP23.52
Rot. Bonds17

About 4-chloro-7-(methoxymethyl)-1-propan-2-ylisoquinoline;4-chloro-1-propan-2-ylisoquinoline;4-methoxy-7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-4-methyl-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)isoquinoline

4-chloro-7-(methoxymethyl)-1-propan-2-ylisoquinoline;4-chloro-1-propan-2-ylisoquinoline;4-methoxy-7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-4-methyl-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)isoquinoline (PubChem CID 161041482) has the molecular formula C85H99Cl2F3N6O6 and a molecular weight of 1428.66 g/mol. Its IUPAC name is 4-chloro-7-(methoxymethyl)-1-propan-2-ylisoquinoline;4-chloro-1-propan-2-ylisoquinoline;4-methoxy-7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-4-methyl-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)isoquinoline.

Molecular Properties

Compound Name4-chloro-7-(methoxymethyl)-1-propan-2-ylisoquinoline;4-chloro-1-propan-2-ylisoquinoline;4-methoxy-7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-4-methyl-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)isoquinoline
PubChem CID161041482
Molecular FormulaC85H99Cl2F3N6O6
Molecular Weight1428.66 g/mol
Exact Mass1426.70
IUPAC Name4-chloro-7-(methoxymethyl)-1-propan-2-ylisoquinoline;4-chloro-1-propan-2-ylisoquinoline;4-methoxy-7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-4-methyl-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)isoquinoline
SMILESCC(C)c1ncc(Cl)c2ccccc12.COCc1ccc2c(C(F)(F)F)cnc(C(C)C)c2c1.COCc1ccc2c(C)cnc(C(C)C)c2c1.COCc1ccc2c(Cl)cnc(C(C)C)c2c1.COCc1ccc2c(OC)cnc(C(C)C)c2c1.COCc1ccc2ccnc(C(C)C)c2c1
InChIInChI=1S/C15H16F3NO.C15H19NO2.C15H19NO.C14H16ClNO.C14H17NO.C12H12ClN/c1-9(2)14-12-6-10(8-20-3)4-5-11(12)13(7-19-14)15(16,17)18;1-10(2)15-13-7-11(9-17-3)5-6-12(13)14(18-4)8-16-15;1-10(2)15-14-7-12(9-17-4)5-6-13(14)11(3)8-16-15;1-9(2)14-12-6-10(8-17-3)4-5-11(12)13(15)7-16-14;1-10(2)14-13-8-11(9-16-3)4-5-12(13)6-7-15-14;1-8(2)12-10-6-4-3-5-9(10)11(13)7-14-12/h4-7,9H,8H2,1-3H3;5-8,10H,9H2,1-4H3;5-8,10H,9H2,1-4H3;4-7,9H,8H2,1-3H3;4-8,10H,9H2,1-3H3;3-8H,1-2H3
InChIKeyUAYCDUDMXWEWLT-UHFFFAOYSA-N
XLogP23.52
TPSA132.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001428.66
LogP ≤ 523.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-chloro-7-(methoxymethyl)-1-propan-2-ylisoquinoline;4-chloro-1-propan-2-ylisoquinoline;4-methoxy-7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-4-methyl-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)isoquinoline with MolForge

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Related Compounds

5-Chloro-2-methoxy-3-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylbenzonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 157444084
1,4-Ditert-butylbenzene;1,4-ditert-butyl-2-chlorobenzene;1,4-ditert-butyl-2-methylbenzene;2,5-ditert-butyl-3-methylpyridine;3,6-ditert-butyl-2-methylpyridine;2,5-ditert-butyl-3-(trifluoromethoxy)pyridine;3,6-ditert-butyl-2-(trifluoromethoxy)pyridine;2,5-ditert-butyl-3-(trifluoromethyl)pyridine;3,6-ditert-butyl-2-(trifluoromethyl)pyridine
CID 157557200
5-Chloro-2-[(2-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]pyridine;2-[[2-fluoro-5-(trifluoromethoxy)phenyl]-(1-methylpiperidin-4-yl)oxymethyl]pyridine
CID 157685296
8-Chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline
CID 158273275
1-Methoxy-6-(methoxymethyl)-4-propan-2-ylisoquinoline;6-(methoxymethyl)-1-methyl-4-propan-2-ylisoquinoline;6-(methoxymethyl)-4-propan-2-ylisoquinoline;6-(methoxymethyl)-4-propan-2-yl-1-(trifluoromethyl)isoquinoline;1-propan-2-ylnaphthalene
CID 158284010
5-Chloro-2-[(3-methoxyphenyl)-(1-methylpiperidin-4-yl)oxymethyl]pyridine;5-fluoro-2-[[2-fluoro-5-(trifluoromethoxy)phenyl]-(1-methylpiperidin-4-yl)oxymethyl]pyridine
CID 158295968
3,8-ditert-butyl-4-chloro-1,6-naphthyridine;3,8-ditert-butyl-N,N-dimethyl-1,6-naphthyridin-4-amine;3,8-ditert-butyl-4-ethoxyquinoline;3,8-ditert-butyl-4-methoxy-1,5-naphthyridine;3,8-ditert-butyl-4-methoxy-1,6-naphthyridine;3,8-ditert-butyl-4-methoxy-1,7-naphthyridine;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methoxy-2-(trifluoromethyl)quinoline
CID 158373348
1-[(3-chloro-2-fluorophenyl)methyl]-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;N,N-dimethyl-1-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine;1-[(3,4-dimethylphenyl)methyl]-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-(pyridin-2-ylmethyl)cyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)cyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-[(2,3,4-trifluorophenyl)methyl]cyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine;1-methoxy-4-[(E)-2-(1-methyl-4-propan-2-ylcyclohexyl)ethenyl]benzene;1-[(3-methoxyphenyl)methyl]-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;[(E)-2-(1-methyl-4-propan-2-ylcyclohexyl)ethenyl]benzene
CID 158435920
5-Tert-butyl-2-chloro-3-methylpyridine;5-tert-butyl-2-fluoro-3-(2-fluoropropan-2-yl)pyridine;5-tert-butyl-3-(2-fluoropropan-2-yl)-2-methylpyridine;2-tert-butyl-4-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-methoxypyridine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;methane;5-methoxy-2-propan-2-yl-4-(trifluoromethyl)pyridine;bis(2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine);5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 158442607
7-Chloro-3-methyl-8-propan-2-ylquinoline;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);1-fluoro-2-methyl-3-propan-2-ylbenzene;bis(1-fluoro-3-methyl-2-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;2-phenyl-6-propan-2-ylpyridine;2-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 158528158
CID 158718040
CID 158718040
8-Chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;1-methyl-4-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline;1,4-xylene
CID 159020483

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(methoxymethyl)-1-propan-2-ylisoquinoline;4-chloro-1-propan-2-ylisoquinoline;4-methoxy-7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-4-methyl-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)isoquinoline?
The IUPAC name of 4-chloro-7-(methoxymethyl)-1-propan-2-ylisoquinoline;4-chloro-1-propan-2-ylisoquinoline;4-methoxy-7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-4-methyl-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)isoquinoline (CID 161041482) is 4-chloro-7-(methoxymethyl)-1-propan-2-ylisoquinoline;4-chloro-1-propan-2-ylisoquinoline;4-methoxy-7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-4-methyl-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)isoquinoline.
What is the SMILES notation for 4-chloro-7-(methoxymethyl)-1-propan-2-ylisoquinoline;4-chloro-1-propan-2-ylisoquinoline;4-methoxy-7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-4-methyl-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)isoquinoline?
The canonical SMILES for 4-chloro-7-(methoxymethyl)-1-propan-2-ylisoquinoline;4-chloro-1-propan-2-ylisoquinoline;4-methoxy-7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-4-methyl-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)isoquinoline is CC(C)c1ncc(Cl)c2ccccc12.COCc1ccc2c(C(F)(F)F)cnc(C(C)C)c2c1.COCc1ccc2c(C)cnc(C(C)C)c2c1.COCc1ccc2c(Cl)cnc(C(C)C)c2c1.COCc1ccc2c(OC)cnc(C(C)C)c2c1.COCc1ccc2ccnc(C(C)C)c2c1.
What is the InChIKey of 4-chloro-7-(methoxymethyl)-1-propan-2-ylisoquinoline;4-chloro-1-propan-2-ylisoquinoline;4-methoxy-7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-4-methyl-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)isoquinoline?
The InChIKey is UAYCDUDMXWEWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO.C15H19NO2.C15H19NO.C14H16ClNO.C14H17NO.C12H12ClN/c1-9(2)14-12-6-10(8-20-3)4-5-11(12)13(7-19-14)15(16,17)18;1-10(2)15-13-7-11(9-17-3)5-6-12(13)14(18-4)8-16-15;1-10(2)15-14-7-12(9-17-4)5-6-13(14)11(3)8-16-15;1-9(2)14-12-6-10(8-17-3)4-5-11(12)13(15)7-16-14;1-10(2)14-13-8-11(9-16-3)4-5-12(13)6-7-15-14;1-8(2)12-10-6-4-3-5-9(10)11(13)7-14-12/h4-7,9H,8H2,1-3H3;5-8,10H,9H2,1-4H3;5-8,10H,9H2,1-4H3;4-7,9H,8H2,1-3H3;4-8,10H,9H2,1-3H3;3-8H,1-2H3.
What are the key properties of 4-chloro-7-(methoxymethyl)-1-propan-2-ylisoquinoline;4-chloro-1-propan-2-ylisoquinoline;4-methoxy-7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-4-methyl-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)isoquinoline?
4-chloro-7-(methoxymethyl)-1-propan-2-ylisoquinoline;4-chloro-1-propan-2-ylisoquinoline;4-methoxy-7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-4-methyl-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)isoquinoline has a molecular weight of 1428.66 g/mol, XLogP of 23.52, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(methoxymethyl)-1-propan-2-ylisoquinoline;4-chloro-1-propan-2-ylisoquinoline;4-methoxy-7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-4-methyl-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)isoquinoline is sourced from PubChem (CID 161041482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).