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

C72H85F3N4O5 — CID 158284010

IUPAC1-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
SMILESCC(C)c1cccc2ccccc12.COCc1ccc2c(C(F)(F)F)ncc(C(C)C)c2c1.COCc1ccc2c(C)ncc(C(C)C)c2c1.COCc1ccc2c(OC)ncc(C(C)C)c2c1.COCc1ccc2cncc(C(C)C)c2c1
InChIInChI=1S/C15H16F3NO.C15H19NO2.C15H19NO.C14H17NO.C13H14/c1-9(2)13-7-19-14(15(16,17)18)11-5-4-10(8-20-3)6-12(11)13;1-10(2)14-8-16-15(18-4)12-6-5-11(9-17-3)7-13(12)14;1-10(2)15-8-16-11(3)13-6-5-12(9-17-4)7-14(13)15;1-10(2)14-8-15-7-12-5-4-11(9-16-3)6-13(12)14;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h4-7,9H,8H2,1-3H3;5-8,10H,9H2,1-4H3;5-8,10H,9H2,1-4H3;4-8,10H,9H2,1-3H3;3-10H,1-2H3
InChIKeyGKNXYOVHVXJRCD-UHFFFAOYSA-N
MW1143.49 g/mol
LogP19.32
Rot. Bonds14

About 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

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 (PubChem CID 158284010) has the molecular formula C72H85F3N4O5 and a molecular weight of 1143.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158284010
Molecular FormulaC72H85F3N4O5
Molecular Weight1143.49 g/mol
Exact Mass1142.65
IUPAC Name1-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
SMILESCC(C)c1cccc2ccccc12.COCc1ccc2c(C(F)(F)F)ncc(C(C)C)c2c1.COCc1ccc2c(C)ncc(C(C)C)c2c1.COCc1ccc2c(OC)ncc(C(C)C)c2c1.COCc1ccc2cncc(C(C)C)c2c1
InChIInChI=1S/C15H16F3NO.C15H19NO2.C15H19NO.C14H17NO.C13H14/c1-9(2)13-7-19-14(15(16,17)18)11-5-4-10(8-20-3)6-12(11)13;1-10(2)14-8-16-15(18-4)12-6-5-11(9-17-3)7-13(12)14;1-10(2)15-8-16-11(3)13-6-5-12(9-17-4)7-14(13)15;1-10(2)14-8-15-7-12-5-4-11(9-16-3)6-13(12)14;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h4-7,9H,8H2,1-3H3;5-8,10H,9H2,1-4H3;5-8,10H,9H2,1-4H3;4-8,10H,9H2,1-3H3;3-10H,1-2H3
InChIKeyGKNXYOVHVXJRCD-UHFFFAOYSA-N
XLogP19.32
TPSA97.71 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001143.49
LogP ≤ 519.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
CID 162657760
5,20-bis[(E)-2-(2-methoxy-1-naphthyl)vinyl]-12,13-dimethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene;trifluoromethanesulfonate
CID 176457286
5,20-bis[(E)-2-(4-methoxy-1-naphthyl)vinyl]-12,13-dimethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene;trifluoromethanesulfonate
CID 176457387
7-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]-12,13-dimethyl-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3,5,7,12,17(26),18,20,22,24-undecaene;trifluoromethanesulfonate
CID 118539901
4-(4-Methoxyphenyl)-3-phenyl-7-(trifluoromethyl)isoquinoline
CID 102433056
4-(4-Methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
CID 139095340
5-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3(8),4,6,12,17(26),18,20,22,24-undecaene;trifluoromethanesulfonate
CID 118539886
5-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]-12,13-dimethyl-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3(8),4,6,12,17(26),18,20,22,24-undecaene;trifluoromethanesulfonate
CID 118539890
7-[(E)-2-(4-methoxyphenyl)ethenyl]-12,13-dimethyl-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3,5,7,12,17(26),18,20,22,24-undecaene;trifluoromethanesulfonate
CID 118539908
5-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-12,13-dimethyl-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3(8),4,6,12,17(26),18,20,22,24-undecaene;trifluoromethanesulfonate
CID 118539916
5-[(E)-2-(4-methoxyphenyl)ethenyl]-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3(8),4,6,12,17(26),18,20,22,24-undecaene;trifluoromethanesulfonate
CID 118539930
5-[(E)-2-(6-methoxynaphthalen-2-yl)ethenyl]-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17,19,21-nonaene;trifluoromethanesulfonate
CID 118539931

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cccc2ccccc12.COCc1ccc2c(C(F)(F)F)ncc(C(C)C)c2c1.COCc1ccc2c(C)ncc(C(C)C)c2c1.COCc1ccc2c(OC)ncc(C(C)C)c2c1.COCc1ccc2cncc(C(C)C)c2c1.
What is the InChIKey of 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?
The InChIKey is GKNXYOVHVXJRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO.C15H19NO2.C15H19NO.C14H17NO.C13H14/c1-9(2)13-7-19-14(15(16,17)18)11-5-4-10(8-20-3)6-12(11)13;1-10(2)14-8-16-15(18-4)12-6-5-11(9-17-3)7-13(12)14;1-10(2)15-8-16-11(3)13-6-5-12(9-17-4)7-14(13)15;1-10(2)14-8-15-7-12-5-4-11(9-16-3)6-13(12)14;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h4-7,9H,8H2,1-3H3;5-8,10H,9H2,1-4H3;5-8,10H,9H2,1-4H3;4-8,10H,9H2,1-3H3;3-10H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1143.49 g/mol, XLogP of 19.32, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158284010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).