(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanol;(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanone;(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;6,7-dimethyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]isoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethylisoquinoline

C120H118F6N6O3 — CID 157293111

IUPAC(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanol;(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanone;(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;6,7-dimethyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]isoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethylisoquinoline
SMILESCc1cc(C(=O)c2nccc3cc(C)c(C)cc23)cc(C(F)(F)F)c1.Cc1cc(C)cc(C(=O)c2nccc3cc(C)c(C)cc23)c1.Cc1cc(C)cc(C(O)c2nccc3cc(C)c(C)cc23)c1.Cc1cc(C)cc(CC2=NCCc3cc(C)c(C)cc32)c1.Cc1cc(C)cc(Cc2nccc3cc(C)c(C)cc23)c1.Cc1cc(Cc2nccc3cc(C)c(C)cc23)cc(C(F)(F)F)c1
InChIInChI=1S/C20H16F3NO.C20H18F3N.C20H21NO.C20H19NO.C20H23N.C20H21N/c1-11-6-15(10-16(7-11)20(21,22)23)19(25)18-17-9-13(3)12(2)8-14(17)4-5-24-18;1-12-6-15(10-17(7-12)20(21,22)23)11-19-18-9-14(3)13(2)8-16(18)4-5-24-19;2*1-12-7-13(2)9-17(8-12)20(22)19-18-11-15(4)14(3)10-16(18)5-6-21-19;2*1-13-7-14(2)9-17(8-13)12-20-19-11-16(4)15(3)10-18(19)5-6-21-20/h4-10H,1-3H3;4-10H,11H2,1-3H3;5-11,20,22H,1-4H3;5-11H,1-4H3;7-11H,5-6,12H2,1-4H3;5-11H,12H2,1-4H3
InChIKeyBBANBJYELVMOMK-UHFFFAOYSA-N
MW1806.29 g/mol
LogP30.00
Rot. Bonds12

About (6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanol;(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanone;(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;6,7-dimethyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]isoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethylisoquinoline

(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanol;(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanone;(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;6,7-dimethyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]isoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethylisoquinoline (PubChem CID 157293111) has the molecular formula C120H118F6N6O3 and a molecular weight of 1806.29 g/mol. Its IUPAC name is (6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanol;(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanone;(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;6,7-dimethyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]isoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethylisoquinoline.

Molecular Properties

Compound Name(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanol;(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanone;(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;6,7-dimethyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]isoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethylisoquinoline
PubChem CID157293111
Molecular FormulaC120H118F6N6O3
Molecular Weight1806.29 g/mol
Exact Mass1804.92
IUPAC Name(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanol;(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanone;(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;6,7-dimethyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]isoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethylisoquinoline
SMILESCc1cc(C(=O)c2nccc3cc(C)c(C)cc23)cc(C(F)(F)F)c1.Cc1cc(C)cc(C(=O)c2nccc3cc(C)c(C)cc23)c1.Cc1cc(C)cc(C(O)c2nccc3cc(C)c(C)cc23)c1.Cc1cc(C)cc(CC2=NCCc3cc(C)c(C)cc32)c1.Cc1cc(C)cc(Cc2nccc3cc(C)c(C)cc23)c1.Cc1cc(Cc2nccc3cc(C)c(C)cc23)cc(C(F)(F)F)c1
InChIInChI=1S/C20H16F3NO.C20H18F3N.C20H21NO.C20H19NO.C20H23N.C20H21N/c1-11-6-15(10-16(7-11)20(21,22)23)19(25)18-17-9-13(3)12(2)8-14(17)4-5-24-18;1-12-6-15(10-17(7-12)20(21,22)23)11-19-18-9-14(3)13(2)8-16(18)4-5-24-19;2*1-12-7-13(2)9-17(8-12)20(22)19-18-11-15(4)14(3)10-16(18)5-6-21-19;2*1-13-7-14(2)9-17(8-13)12-20-19-11-16(4)15(3)10-18(19)5-6-21-20/h4-10H,1-3H3;4-10H,11H2,1-3H3;5-11,20,22H,1-4H3;5-11H,1-4H3;7-11H,5-6,12H2,1-4H3;5-11H,12H2,1-4H3
InChIKeyBBANBJYELVMOMK-UHFFFAOYSA-N
XLogP30.00
TPSA131.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001806.29
LogP ≤ 530.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanol;(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanone;(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;6,7-dimethyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]isoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethylisoquinoline with MolForge

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Related Compounds

bis[2-[1-hydroxy-6-(trifluoromethyl)-2H-naphthalen-1-yl]-4-pyridinyl]methanone
CID 21535739
1-[8-Fluoro-4-(4-fluorophenyl)-7-[[6-(hydroxymethyl)-3-pyridinyl]methyl]quinolin-2-yl]ethanone
CID 89554930
4-(6,6-diethyl-9,11-difluoro-7H-benzo[a]quinolizin-5-ium-7-yl)-8-[4-[9-[4-[4-[5-[4-(2,5-dimethylphenyl)-2-pyridin-2-ylphenyl]-4,5-dimethylheptyl]-3-(1-methylpyridin-1-ium-2-yl)phenyl]phenyl]-1,5,6,9a-tetrahydrofluoren-9-yl]phenyl]-3,4-dihydropyrido[2,1-c][1,4]oxazin-5-ium-1-one
CID 123357790
2-[1-(Hydroxymethyl)isoquinolin-2-ium-2-yl]-1-phenylethanone;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139738942
2-Benzylisoquinolin-2-ium-1-carboxylic acid;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139739269
2-Phenacylisoquinolin-2-ium-1-carboxylic acid;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139739791
2-Benzylisoquinolin-2-ium-3-carboxylic acid;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139739934
2-Phenacylisoquinolin-2-ium-1,7-dicarboxylic acid;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139740183
2-Phenacylisoquinolin-2-ium-3-carboxylic acid;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139740547
3-[10-[2-Carboxy-4-(3,5-difluoro-2-pyridin-2-ylphenyl)-3-pyridinyl]anthracen-9-yl]-4-(3,5-difluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid
CID 152344321
1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2S,4R)-4-hydroxy-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]ethanone;1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R,4S)-4-hydroxy-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]ethanone;1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R)-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]ethanone;1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2S)-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]ethanone
CID 157643148
CID 157801091
CID 157801091

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanol;(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanone;(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;6,7-dimethyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]isoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethylisoquinoline?
The IUPAC name of (6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanol;(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanone;(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;6,7-dimethyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]isoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethylisoquinoline (CID 157293111) is (6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanol;(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanone;(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;6,7-dimethyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]isoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethylisoquinoline.
What is the SMILES notation for (6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanol;(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanone;(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;6,7-dimethyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]isoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethylisoquinoline?
The canonical SMILES for (6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanol;(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanone;(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;6,7-dimethyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]isoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethylisoquinoline is Cc1cc(C(=O)c2nccc3cc(C)c(C)cc23)cc(C(F)(F)F)c1.Cc1cc(C)cc(C(=O)c2nccc3cc(C)c(C)cc23)c1.Cc1cc(C)cc(C(O)c2nccc3cc(C)c(C)cc23)c1.Cc1cc(C)cc(CC2=NCCc3cc(C)c(C)cc32)c1.Cc1cc(C)cc(Cc2nccc3cc(C)c(C)cc23)c1.Cc1cc(Cc2nccc3cc(C)c(C)cc23)cc(C(F)(F)F)c1.
What is the InChIKey of (6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanol;(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanone;(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;6,7-dimethyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]isoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethylisoquinoline?
The InChIKey is BBANBJYELVMOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO.C20H18F3N.C20H21NO.C20H19NO.C20H23N.C20H21N/c1-11-6-15(10-16(7-11)20(21,22)23)19(25)18-17-9-13(3)12(2)8-14(17)4-5-24-18;1-12-6-15(10-17(7-12)20(21,22)23)11-19-18-9-14(3)13(2)8-16(18)4-5-24-19;2*1-12-7-13(2)9-17(8-12)20(22)19-18-11-15(4)14(3)10-16(18)5-6-21-19;2*1-13-7-14(2)9-17(8-13)12-20-19-11-16(4)15(3)10-18(19)5-6-21-20/h4-10H,1-3H3;4-10H,11H2,1-3H3;5-11,20,22H,1-4H3;5-11H,1-4H3;7-11H,5-6,12H2,1-4H3;5-11H,12H2,1-4H3.
What are the key properties of (6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanol;(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanone;(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;6,7-dimethyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]isoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethylisoquinoline?
(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanol;(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanone;(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;6,7-dimethyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]isoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethylisoquinoline has a molecular weight of 1806.29 g/mol, XLogP of 30.00, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanol;(6,7-dimethylisoquinolin-1-yl)-(3,5-dimethylphenyl)methanone;(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;6,7-dimethyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]isoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethyl-3,4-dihydroisoquinoline;1-[(3,5-dimethylphenyl)methyl]-6,7-dimethylisoquinoline is sourced from PubChem (CID 157293111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).