1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,6-dimethylisoquinoline;1,7-dimethylisoquinoline;1,8-dimethylisoquinoline;3,4-dimethylisoquinoline;3,5-dimethylisoquinoline;3,6-dimethylisoquinoline;3,7-dimethylisoquinoline;3,8-dimethylisoquinoline;4,5-dimethylisoquinoline;4,6-dimethylisoquinoline;4,7-dimethylisoquinoline;4,8-dimethylisoquinoline;5,6-dimethylisoquinoline;5,7-dimethylisoquinoline;5,8-dimethylisoquinoline;6,7-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene

C242H261N21OS — CID 158769461

IUPAC1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,6-dimethylisoquinoline;1,7-dimethylisoquinoline;1,8-dimethylisoquinoline;3,4-dimethylisoquinoline;3,5-dimethylisoquinoline;3,6-dimethylisoquinoline;3,7-dimethylisoquinoline;3,8-dimethylisoquinoline;4,5-dimethylisoquinoline;4,6-dimethylisoquinoline;4,7-dimethylisoquinoline;4,8-dimethylisoquinoline;5,6-dimethylisoquinoline;5,7-dimethylisoquinoline;5,8-dimethylisoquinoline;6,7-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene
SMILESCc1c(C)c(C)n(C)c1C.Cc1cc(C)c2ccncc2c1.Cc1cc(C)n(C)c1C.Cc1cc2c(C)cccc2cn1.Cc1cc2cccc(C)c2cn1.Cc1cc2ccccc2c(C)n1.Cc1cc2ccncc2cc1C.Cc1ccc(C)c2cnccc12.Cc1ccc2c(C)cncc2c1.Cc1ccc2c(C)nccc2c1.Cc1ccc2cc(C)ncc2c1.Cc1ccc2ccnc(C)c2c1.Cc1ccc2cnc(C)cc2c1.Cc1ccc2cncc(C)c2c1.Cc1ccc2cnccc2c1C.Cc1cccc2c(C)nccc12.Cc1cccc2ccnc(C)c12.Cc1cccc2cncc(C)c12.Cc1cnc(C)c2ccccc12.Cc1cncc2c(C)cccc12.Cc1ncc2ccccc2c1C.Cc1oc(C)c(C)c1C.Cc1sc(C)c(C)c1C
InChIInChI=1S/19C11H11N.C9H15N.C8H13N.C8H12O.C8H12S/c1-8-5-10-3-4-12-7-11(10)6-9(8)2;1-8-5-9(2)11-3-4-12-7-10(11)6-8;1-8-3-4-11-9(2)6-12-7-10(11)5-8;1-8-3-4-10-7-12-6-9(2)11(10)5-8;1-8-3-4-10-7-12-9(2)6-11(10)5-8;1-8-3-4-10-6-9(2)12-7-11(10)5-8;1-8-3-4-10-7-12-6-5-11(10)9(8)2;1-8-3-4-9(2)11-7-12-6-5-10(8)11;1-8-3-4-11-9(2)12-6-5-10(11)7-8;1-8-3-4-10-5-6-12-9(2)11(10)7-8;1-8-4-3-5-10-9(2)6-12-7-11(8)10;1-8-4-3-5-10-7-12-6-9(2)11(8)10;1-8-4-3-5-10-7-12-9(2)6-11(8)10;1-8-4-3-5-10-6-9(2)12-7-11(8)10;1-8-4-3-5-11-9(2)12-7-6-10(8)11;1-8-4-3-5-10-6-7-12-9(2)11(8)10;1-8-9(2)12-7-10-5-3-4-6-11(8)10;1-8-7-12-9(2)11-6-4-3-5-10(8)11;1-8-7-10-5-3-4-6-11(10)9(2)12-8;1-6-7(2)9(4)10(5)8(6)3;1-6-5-7(2)9(4)8(6)3;2*1-5-6(2)8(4)9-7(5)3/h19*3-7H,1-2H3;1-5H3;5H,1-4H3;2*1-4H3
InChIKeyIPRJXZRJLLZXJB-UHFFFAOYSA-N
MW3511.96 g/mol
LogP63.89
Rot. Bonds

About 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,6-dimethylisoquinoline;1,7-dimethylisoquinoline;1,8-dimethylisoquinoline;3,4-dimethylisoquinoline;3,5-dimethylisoquinoline;3,6-dimethylisoquinoline;3,7-dimethylisoquinoline;3,8-dimethylisoquinoline;4,5-dimethylisoquinoline;4,6-dimethylisoquinoline;4,7-dimethylisoquinoline;4,8-dimethylisoquinoline;5,6-dimethylisoquinoline;5,7-dimethylisoquinoline;5,8-dimethylisoquinoline;6,7-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene

1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,6-dimethylisoquinoline;1,7-dimethylisoquinoline;1,8-dimethylisoquinoline;3,4-dimethylisoquinoline;3,5-dimethylisoquinoline;3,6-dimethylisoquinoline;3,7-dimethylisoquinoline;3,8-dimethylisoquinoline;4,5-dimethylisoquinoline;4,6-dimethylisoquinoline;4,7-dimethylisoquinoline;4,8-dimethylisoquinoline;5,6-dimethylisoquinoline;5,7-dimethylisoquinoline;5,8-dimethylisoquinoline;6,7-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene (PubChem CID 158769461) has the molecular formula C242H261N21OS and a molecular weight of 3511.96 g/mol. Its IUPAC name is 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,6-dimethylisoquinoline;1,7-dimethylisoquinoline;1,8-dimethylisoquinoline;3,4-dimethylisoquinoline;3,5-dimethylisoquinoline;3,6-dimethylisoquinoline;3,7-dimethylisoquinoline;3,8-dimethylisoquinoline;4,5-dimethylisoquinoline;4,6-dimethylisoquinoline;4,7-dimethylisoquinoline;4,8-dimethylisoquinoline;5,6-dimethylisoquinoline;5,7-dimethylisoquinoline;5,8-dimethylisoquinoline;6,7-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene.

Molecular Properties

Compound Name1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,6-dimethylisoquinoline;1,7-dimethylisoquinoline;1,8-dimethylisoquinoline;3,4-dimethylisoquinoline;3,5-dimethylisoquinoline;3,6-dimethylisoquinoline;3,7-dimethylisoquinoline;3,8-dimethylisoquinoline;4,5-dimethylisoquinoline;4,6-dimethylisoquinoline;4,7-dimethylisoquinoline;4,8-dimethylisoquinoline;5,6-dimethylisoquinoline;5,7-dimethylisoquinoline;5,8-dimethylisoquinoline;6,7-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene
PubChem CID158769461
Molecular FormulaC242H261N21OS
Molecular Weight3511.96 g/mol
Exact Mass3509.07
IUPAC Name1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,6-dimethylisoquinoline;1,7-dimethylisoquinoline;1,8-dimethylisoquinoline;3,4-dimethylisoquinoline;3,5-dimethylisoquinoline;3,6-dimethylisoquinoline;3,7-dimethylisoquinoline;3,8-dimethylisoquinoline;4,5-dimethylisoquinoline;4,6-dimethylisoquinoline;4,7-dimethylisoquinoline;4,8-dimethylisoquinoline;5,6-dimethylisoquinoline;5,7-dimethylisoquinoline;5,8-dimethylisoquinoline;6,7-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene
SMILESCc1c(C)c(C)n(C)c1C.Cc1cc(C)c2ccncc2c1.Cc1cc(C)n(C)c1C.Cc1cc2c(C)cccc2cn1.Cc1cc2cccc(C)c2cn1.Cc1cc2ccccc2c(C)n1.Cc1cc2ccncc2cc1C.Cc1ccc(C)c2cnccc12.Cc1ccc2c(C)cncc2c1.Cc1ccc2c(C)nccc2c1.Cc1ccc2cc(C)ncc2c1.Cc1ccc2ccnc(C)c2c1.Cc1ccc2cnc(C)cc2c1.Cc1ccc2cncc(C)c2c1.Cc1ccc2cnccc2c1C.Cc1cccc2c(C)nccc12.Cc1cccc2ccnc(C)c12.Cc1cccc2cncc(C)c12.Cc1cnc(C)c2ccccc12.Cc1cncc2c(C)cccc12.Cc1ncc2ccccc2c1C.Cc1oc(C)c(C)c1C.Cc1sc(C)c(C)c1C
InChIInChI=1S/19C11H11N.C9H15N.C8H13N.C8H12O.C8H12S/c1-8-5-10-3-4-12-7-11(10)6-9(8)2;1-8-5-9(2)11-3-4-12-7-10(11)6-8;1-8-3-4-11-9(2)6-12-7-10(11)5-8;1-8-3-4-10-7-12-6-9(2)11(10)5-8;1-8-3-4-10-7-12-9(2)6-11(10)5-8;1-8-3-4-10-6-9(2)12-7-11(10)5-8;1-8-3-4-10-7-12-6-5-11(10)9(8)2;1-8-3-4-9(2)11-7-12-6-5-10(8)11;1-8-3-4-11-9(2)12-6-5-10(11)7-8;1-8-3-4-10-5-6-12-9(2)11(10)7-8;1-8-4-3-5-10-9(2)6-12-7-11(8)10;1-8-4-3-5-10-7-12-6-9(2)11(8)10;1-8-4-3-5-10-7-12-9(2)6-11(8)10;1-8-4-3-5-10-6-9(2)12-7-11(8)10;1-8-4-3-5-11-9(2)12-7-6-10(8)11;1-8-4-3-5-10-6-7-12-9(2)11(8)10;1-8-9(2)12-7-10-5-3-4-6-11(8)10;1-8-7-12-9(2)11-6-4-3-5-10(8)11;1-8-7-10-5-3-4-6-11(10)9(2)12-8;1-6-7(2)9(4)10(5)8(6)3;1-6-5-7(2)9(4)8(6)3;2*1-5-6(2)8(4)9-7(5)3/h19*3-7H,1-2H3;1-5H3;5H,1-4H3;2*1-4H3
InChIKeyIPRJXZRJLLZXJB-UHFFFAOYSA-N
XLogP63.89
TPSA267.91 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms265
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003511.96
LogP ≤ 563.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,6-dimethylisoquinoline;1,7-dimethylisoquinoline;1,8-dimethylisoquinoline;3,4-dimethylisoquinoline;3,5-dimethylisoquinoline;3,6-dimethylisoquinoline;3,7-dimethylisoquinoline;3,8-dimethylisoquinoline;4,5-dimethylisoquinoline;4,6-dimethylisoquinoline;4,7-dimethylisoquinoline;4,8-dimethylisoquinoline;5,6-dimethylisoquinoline;5,7-dimethylisoquinoline;5,8-dimethylisoquinoline;6,7-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene 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

2,3-Dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene
CID 157295675
3,3-difluoro-1-methylpiperidine;3,4-dimethylfuran;tris(1,2-dimethylpiperidine);bis(2,3-dimethylpyridine);3,4-dimethylpyridine;3,4-dimethyl-2H-pyrrole;1,2-dimethylpyrrolidine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine;1,2,3-trimethylbenzene;2,3,4-trimethylpyridine;3,4,5-trimethyl-2H-pyrrole;1,2,5-trimethylpyrrolidine;1,2-xylene
CID 161662824
9-Methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]furan-2-yl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]thiophen-2-yl]carbazole
CID 123334351
2-Dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;2-dibenzothiophen-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine
CID 157051472
2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-phenylpyridine;tris(2-phenylpyridine)
CID 157066201
1-[(E)-3-methylbut-1-enyl]-4-propan-2-ylbenzene;1-(3-methylbut-1-ynyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;2-propan-2-yl-5-(4-propan-2-ylphenyl)pyridine;5-propan-2-yl-2-(4-propan-2-ylphenyl)pyridine;6-propan-2-yl-2-(4-propan-2-ylphenyl)quinoline;2-propan-2-yl-5-(4-propan-2-ylphenyl)thieno[3,2-b]furan
CID 157152352
2,5-Dimethylfuran;bis(1,3-dimethylnaphthalene);1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,9-dimethylphenanthrene;1,3-dimethyl-5-phenylbenzene;2,6-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylthiophene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene
CID 157170438
2-Methyl-4,6-diphenylpyridine;4-methyl-2,6-diphenylpyridine;4-(4-methylphenyl)dibenzofuran;4-(4-methylphenyl)dibenzothiophene;4-(3-methyl-5-phenylphenyl)pyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine
CID 157274785
bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine);2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(iridium);5-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;pentakis(5-methyl-2-phenylpyridine)
CID 157277546
2-[4-[2-[3,5-Bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(2-methyldibenzofuran-3-yl)pyridine;2-[4-[2-[3-[4,5-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(7-phenyldibenzothiophen-3-yl)pyridine;tris(iridium(3+));4-(4-methyldibenzofuran-3-yl)-2-[4-[2-[3-[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 157280008
2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzofuran-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;2-[8-(1-bicyclo[2.2.2]octanyl)-9,9-dimethyl-2H-fluoren-2-id-1-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;5-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);decakis(iridium);methane;octakis(2-phenylpyridine)
CID 157304191
2-(3-Dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;2-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyridine;2-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyridine;2-(4-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine)
CID 157311340

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,6-dimethylisoquinoline;1,7-dimethylisoquinoline;1,8-dimethylisoquinoline;3,4-dimethylisoquinoline;3,5-dimethylisoquinoline;3,6-dimethylisoquinoline;3,7-dimethylisoquinoline;3,8-dimethylisoquinoline;4,5-dimethylisoquinoline;4,6-dimethylisoquinoline;4,7-dimethylisoquinoline;4,8-dimethylisoquinoline;5,6-dimethylisoquinoline;5,7-dimethylisoquinoline;5,8-dimethylisoquinoline;6,7-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene?
The IUPAC name of 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,6-dimethylisoquinoline;1,7-dimethylisoquinoline;1,8-dimethylisoquinoline;3,4-dimethylisoquinoline;3,5-dimethylisoquinoline;3,6-dimethylisoquinoline;3,7-dimethylisoquinoline;3,8-dimethylisoquinoline;4,5-dimethylisoquinoline;4,6-dimethylisoquinoline;4,7-dimethylisoquinoline;4,8-dimethylisoquinoline;5,6-dimethylisoquinoline;5,7-dimethylisoquinoline;5,8-dimethylisoquinoline;6,7-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene (CID 158769461) is 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,6-dimethylisoquinoline;1,7-dimethylisoquinoline;1,8-dimethylisoquinoline;3,4-dimethylisoquinoline;3,5-dimethylisoquinoline;3,6-dimethylisoquinoline;3,7-dimethylisoquinoline;3,8-dimethylisoquinoline;4,5-dimethylisoquinoline;4,6-dimethylisoquinoline;4,7-dimethylisoquinoline;4,8-dimethylisoquinoline;5,6-dimethylisoquinoline;5,7-dimethylisoquinoline;5,8-dimethylisoquinoline;6,7-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene.
What is the SMILES notation for 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,6-dimethylisoquinoline;1,7-dimethylisoquinoline;1,8-dimethylisoquinoline;3,4-dimethylisoquinoline;3,5-dimethylisoquinoline;3,6-dimethylisoquinoline;3,7-dimethylisoquinoline;3,8-dimethylisoquinoline;4,5-dimethylisoquinoline;4,6-dimethylisoquinoline;4,7-dimethylisoquinoline;4,8-dimethylisoquinoline;5,6-dimethylisoquinoline;5,7-dimethylisoquinoline;5,8-dimethylisoquinoline;6,7-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene?
The canonical SMILES for 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,6-dimethylisoquinoline;1,7-dimethylisoquinoline;1,8-dimethylisoquinoline;3,4-dimethylisoquinoline;3,5-dimethylisoquinoline;3,6-dimethylisoquinoline;3,7-dimethylisoquinoline;3,8-dimethylisoquinoline;4,5-dimethylisoquinoline;4,6-dimethylisoquinoline;4,7-dimethylisoquinoline;4,8-dimethylisoquinoline;5,6-dimethylisoquinoline;5,7-dimethylisoquinoline;5,8-dimethylisoquinoline;6,7-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene is Cc1c(C)c(C)n(C)c1C.Cc1cc(C)c2ccncc2c1.Cc1cc(C)n(C)c1C.Cc1cc2c(C)cccc2cn1.Cc1cc2cccc(C)c2cn1.Cc1cc2ccccc2c(C)n1.Cc1cc2ccncc2cc1C.Cc1ccc(C)c2cnccc12.Cc1ccc2c(C)cncc2c1.Cc1ccc2c(C)nccc2c1.Cc1ccc2cc(C)ncc2c1.Cc1ccc2ccnc(C)c2c1.Cc1ccc2cnc(C)cc2c1.Cc1ccc2cncc(C)c2c1.Cc1ccc2cnccc2c1C.Cc1cccc2c(C)nccc12.Cc1cccc2ccnc(C)c12.Cc1cccc2cncc(C)c12.Cc1cnc(C)c2ccccc12.Cc1cncc2c(C)cccc12.Cc1ncc2ccccc2c1C.Cc1oc(C)c(C)c1C.Cc1sc(C)c(C)c1C.
What is the InChIKey of 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,6-dimethylisoquinoline;1,7-dimethylisoquinoline;1,8-dimethylisoquinoline;3,4-dimethylisoquinoline;3,5-dimethylisoquinoline;3,6-dimethylisoquinoline;3,7-dimethylisoquinoline;3,8-dimethylisoquinoline;4,5-dimethylisoquinoline;4,6-dimethylisoquinoline;4,7-dimethylisoquinoline;4,8-dimethylisoquinoline;5,6-dimethylisoquinoline;5,7-dimethylisoquinoline;5,8-dimethylisoquinoline;6,7-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene?
The InChIKey is IPRJXZRJLLZXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/19C11H11N.C9H15N.C8H13N.C8H12O.C8H12S/c1-8-5-10-3-4-12-7-11(10)6-9(8)2;1-8-5-9(2)11-3-4-12-7-10(11)6-8;1-8-3-4-11-9(2)6-12-7-10(11)5-8;1-8-3-4-10-7-12-6-9(2)11(10)5-8;1-8-3-4-10-7-12-9(2)6-11(10)5-8;1-8-3-4-10-6-9(2)12-7-11(10)5-8;1-8-3-4-10-7-12-6-5-11(10)9(8)2;1-8-3-4-9(2)11-7-12-6-5-10(8)11;1-8-3-4-11-9(2)12-6-5-10(11)7-8;1-8-3-4-10-5-6-12-9(2)11(10)7-8;1-8-4-3-5-10-9(2)6-12-7-11(8)10;1-8-4-3-5-10-7-12-6-9(2)11(8)10;1-8-4-3-5-10-7-12-9(2)6-11(8)10;1-8-4-3-5-10-6-9(2)12-7-11(8)10;1-8-4-3-5-11-9(2)12-7-6-10(8)11;1-8-4-3-5-10-6-7-12-9(2)11(8)10;1-8-9(2)12-7-10-5-3-4-6-11(8)10;1-8-7-12-9(2)11-6-4-3-5-10(8)11;1-8-7-10-5-3-4-6-11(10)9(2)12-8;1-6-7(2)9(4)10(5)8(6)3;1-6-5-7(2)9(4)8(6)3;2*1-5-6(2)8(4)9-7(5)3/h19*3-7H,1-2H3;1-5H3;5H,1-4H3;2*1-4H3.
What are the key properties of 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,6-dimethylisoquinoline;1,7-dimethylisoquinoline;1,8-dimethylisoquinoline;3,4-dimethylisoquinoline;3,5-dimethylisoquinoline;3,6-dimethylisoquinoline;3,7-dimethylisoquinoline;3,8-dimethylisoquinoline;4,5-dimethylisoquinoline;4,6-dimethylisoquinoline;4,7-dimethylisoquinoline;4,8-dimethylisoquinoline;5,6-dimethylisoquinoline;5,7-dimethylisoquinoline;5,8-dimethylisoquinoline;6,7-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene?
1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,6-dimethylisoquinoline;1,7-dimethylisoquinoline;1,8-dimethylisoquinoline;3,4-dimethylisoquinoline;3,5-dimethylisoquinoline;3,6-dimethylisoquinoline;3,7-dimethylisoquinoline;3,8-dimethylisoquinoline;4,5-dimethylisoquinoline;4,6-dimethylisoquinoline;4,7-dimethylisoquinoline;4,8-dimethylisoquinoline;5,6-dimethylisoquinoline;5,7-dimethylisoquinoline;5,8-dimethylisoquinoline;6,7-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene has a molecular weight of 3511.96 g/mol, XLogP of 63.89, 0 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,6-dimethylisoquinoline;1,7-dimethylisoquinoline;1,8-dimethylisoquinoline;3,4-dimethylisoquinoline;3,5-dimethylisoquinoline;3,6-dimethylisoquinoline;3,7-dimethylisoquinoline;3,8-dimethylisoquinoline;4,5-dimethylisoquinoline;4,6-dimethylisoquinoline;4,7-dimethylisoquinoline;4,8-dimethylisoquinoline;5,6-dimethylisoquinoline;5,7-dimethylisoquinoline;5,8-dimethylisoquinoline;6,7-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene is sourced from PubChem (CID 158769461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).