(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanone;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanone;6,7-dimethyl-1-(naphthalen-2-ylmethyl)isoquinoline

C130H109F3N6O5 — CID 158356032

IUPAC(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanone;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanone;6,7-dimethyl-1-(naphthalen-2-ylmethyl)isoquinoline
SMILESCc1cc(C(O)c2nccc3cc(C)c(C)cc23)cc(C(F)(F)F)c1.Cc1cc2ccnc(C(=O)c3ccc4ccccc4c3)c2cc1C.Cc1cc2ccnc(C(=O)c3cccc4ccccc34)c2cc1C.Cc1cc2ccnc(C(O)c3ccc4ccccc4c3)c2cc1C.Cc1cc2ccnc(C(O)c3cccc4ccccc34)c2cc1C.Cc1cc2ccnc(Cc3ccc4ccccc4c3)c2cc1C
InChIInChI=1S/C22H19NO.C22H17NO.C22H19NO.C22H17NO.C22H19N.C20H18F3NO/c2*1-14-12-17-10-11-23-21(20(17)13-15(14)2)22(24)19-9-5-7-16-6-3-4-8-18(16)19;2*1-14-11-18-9-10-23-21(20(18)12-15(14)2)22(24)19-8-7-16-5-3-4-6-17(16)13-19;1-15-11-20-9-10-23-22(21(20)12-16(15)2)14-17-7-8-18-5-3-4-6-19(18)13-17;1-11-6-15(10-16(7-11)20(21,22)23)19(25)18-17-9-13(3)12(2)8-14(17)4-5-24-18/h3-13,22,24H,1-2H3;3-13H,1-2H3;3-13,22,24H,1-2H3;3-13H,1-2H3;3-13H,14H2,1-2H3;4-10,19,25H,1-3H3
InChIKeyGSWUNGQPBCENLR-UHFFFAOYSA-N
MW1892.33 g/mol
LogP31.50
Rot. Bonds12

About (6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanone;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanone;6,7-dimethyl-1-(naphthalen-2-ylmethyl)isoquinoline

(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanone;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanone;6,7-dimethyl-1-(naphthalen-2-ylmethyl)isoquinoline (PubChem CID 158356032) has the molecular formula C130H109F3N6O5 and a molecular weight of 1892.33 g/mol. Its IUPAC name is (6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanone;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanone;6,7-dimethyl-1-(naphthalen-2-ylmethyl)isoquinoline.

Molecular Properties

Compound Name(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanone;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanone;6,7-dimethyl-1-(naphthalen-2-ylmethyl)isoquinoline
PubChem CID158356032
Molecular FormulaC130H109F3N6O5
Molecular Weight1892.33 g/mol
Exact Mass1890.84
IUPAC Name(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanone;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanone;6,7-dimethyl-1-(naphthalen-2-ylmethyl)isoquinoline
SMILESCc1cc(C(O)c2nccc3cc(C)c(C)cc23)cc(C(F)(F)F)c1.Cc1cc2ccnc(C(=O)c3ccc4ccccc4c3)c2cc1C.Cc1cc2ccnc(C(=O)c3cccc4ccccc34)c2cc1C.Cc1cc2ccnc(C(O)c3ccc4ccccc4c3)c2cc1C.Cc1cc2ccnc(C(O)c3cccc4ccccc34)c2cc1C.Cc1cc2ccnc(Cc3ccc4ccccc4c3)c2cc1C
InChIInChI=1S/C22H19NO.C22H17NO.C22H19NO.C22H17NO.C22H19N.C20H18F3NO/c2*1-14-12-17-10-11-23-21(20(17)13-15(14)2)22(24)19-9-5-7-16-6-3-4-8-18(16)19;2*1-14-11-18-9-10-23-21(20(18)12-15(14)2)22(24)19-8-7-16-5-3-4-6-17(16)13-19;1-15-11-20-9-10-23-22(21(20)12-16(15)2)14-17-7-8-18-5-3-4-6-19(18)13-17;1-11-6-15(10-16(7-11)20(21,22)23)19(25)18-17-9-13(3)12(2)8-14(17)4-5-24-18/h3-13,22,24H,1-2H3;3-13H,1-2H3;3-13,22,24H,1-2H3;3-13H,1-2H3;3-13H,14H2,1-2H3;4-10,19,25H,1-3H3
InChIKeyGSWUNGQPBCENLR-UHFFFAOYSA-N
XLogP31.50
TPSA172.17 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001892.33
LogP ≤ 531.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze (6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanone;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanone;6,7-dimethyl-1-(naphthalen-2-ylmethyl)isoquinoline with MolForge

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Related Compounds

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-Phenacylisoquinolin-2-ium-1-carboxylic acid;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139739791
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
(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
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
Lithium;3,6-bis(trifluoromethyl)phenanthrene-9-carboxylic acid;[3,6-bis(trifluoromethyl)phenanthren-9-yl]-pyridin-2-ylmethanone;butane;methane
CID 157844179
deuterio(fluoro)methane;1-methylnaphthalene-2-carbaldehyde;4-methylpyridine;naphthalen-2-ylmethanol;1-(trifluoromethyl)naphthalene-2-carbaldehyde;4-[(E)-2-[1-(trifluoromethyl)naphthalen-2-yl]ethenyl]pyridine
CID 159035635

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanone;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanone;6,7-dimethyl-1-(naphthalen-2-ylmethyl)isoquinoline?
The IUPAC name of (6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanone;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanone;6,7-dimethyl-1-(naphthalen-2-ylmethyl)isoquinoline (CID 158356032) is (6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanone;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanone;6,7-dimethyl-1-(naphthalen-2-ylmethyl)isoquinoline.
What is the SMILES notation for (6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanone;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanone;6,7-dimethyl-1-(naphthalen-2-ylmethyl)isoquinoline?
The canonical SMILES for (6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanone;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanone;6,7-dimethyl-1-(naphthalen-2-ylmethyl)isoquinoline is Cc1cc(C(O)c2nccc3cc(C)c(C)cc23)cc(C(F)(F)F)c1.Cc1cc2ccnc(C(=O)c3ccc4ccccc4c3)c2cc1C.Cc1cc2ccnc(C(=O)c3cccc4ccccc34)c2cc1C.Cc1cc2ccnc(C(O)c3ccc4ccccc4c3)c2cc1C.Cc1cc2ccnc(C(O)c3cccc4ccccc34)c2cc1C.Cc1cc2ccnc(Cc3ccc4ccccc4c3)c2cc1C.
What is the InChIKey of (6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanone;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanone;6,7-dimethyl-1-(naphthalen-2-ylmethyl)isoquinoline?
The InChIKey is GSWUNGQPBCENLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO.C22H17NO.C22H19NO.C22H17NO.C22H19N.C20H18F3NO/c2*1-14-12-17-10-11-23-21(20(17)13-15(14)2)22(24)19-9-5-7-16-6-3-4-8-18(16)19;2*1-14-11-18-9-10-23-21(20(18)12-15(14)2)22(24)19-8-7-16-5-3-4-6-17(16)13-19;1-15-11-20-9-10-23-22(21(20)12-16(15)2)14-17-7-8-18-5-3-4-6-19(18)13-17;1-11-6-15(10-16(7-11)20(21,22)23)19(25)18-17-9-13(3)12(2)8-14(17)4-5-24-18/h3-13,22,24H,1-2H3;3-13H,1-2H3;3-13,22,24H,1-2H3;3-13H,1-2H3;3-13H,14H2,1-2H3;4-10,19,25H,1-3H3.
What are the key properties of (6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanone;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanone;6,7-dimethyl-1-(naphthalen-2-ylmethyl)isoquinoline?
(6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanone;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanone;6,7-dimethyl-1-(naphthalen-2-ylmethyl)isoquinoline has a molecular weight of 1892.33 g/mol, XLogP of 31.50, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethylisoquinolin-1-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanol;(6,7-dimethylisoquinolin-1-yl)-naphthalen-1-ylmethanone;(6,7-dimethylisoquinolin-1-yl)-naphthalen-2-ylmethanone;6,7-dimethyl-1-(naphthalen-2-ylmethyl)isoquinoline is sourced from PubChem (CID 158356032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).