2-methoxy-5-methylpyridine;5-methyl-1,3-benzodioxole;4-methylbenzonitrile;2-methyl-1-benzothiophene;2-methylnaphthalene;3-methylquinoline;1,2,4-trimethylbenzene

C62H63N3O3S — CID 159402070

IUPAC2-methoxy-5-methylpyridine;5-methyl-1,3-benzodioxole;4-methylbenzonitrile;2-methyl-1-benzothiophene;2-methylnaphthalene;3-methylquinoline;1,2,4-trimethylbenzene
SMILESCOc1ccc(C)cn1.Cc1cc2ccccc2s1.Cc1ccc(C#N)cc1.Cc1ccc(C)c(C)c1.Cc1ccc2c(c1)OCO2.Cc1ccc2ccccc2c1.Cc1cnc2ccccc2c1
InChIInChI=1S/C11H10.C10H9N.C9H8S.C9H12.C8H7N.C8H8O2.C7H9NO/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-6-9-4-2-3-5-10(9)11-7-8;1-7-6-8-4-2-3-5-9(8)10-7;1-7-4-5-8(2)9(3)6-7;1-7-2-4-8(6-9)5-3-7;1-6-2-3-7-8(4-6)10-5-9-7;1-6-3-4-7(9-2)8-5-6/h2-8H,1H3;2-7H,1H3;2-6H,1H3;4-6H,1-3H3;2-5H,1H3;2-4H,5H2,1H3;3-5H,1-2H3
InChIKeyLNLVGNDDKSFCKP-UHFFFAOYSA-N
MW930.27 g/mol
LogP16.50
Rot. Bonds1

About 2-methoxy-5-methylpyridine;5-methyl-1,3-benzodioxole;4-methylbenzonitrile;2-methyl-1-benzothiophene;2-methylnaphthalene;3-methylquinoline;1,2,4-trimethylbenzene

2-methoxy-5-methylpyridine;5-methyl-1,3-benzodioxole;4-methylbenzonitrile;2-methyl-1-benzothiophene;2-methylnaphthalene;3-methylquinoline;1,2,4-trimethylbenzene (PubChem CID 159402070) has the molecular formula C62H63N3O3S and a molecular weight of 930.27 g/mol. Its IUPAC name is 2-methoxy-5-methylpyridine;5-methyl-1,3-benzodioxole;4-methylbenzonitrile;2-methyl-1-benzothiophene;2-methylnaphthalene;3-methylquinoline;1,2,4-trimethylbenzene.

Molecular Properties

Compound Name2-methoxy-5-methylpyridine;5-methyl-1,3-benzodioxole;4-methylbenzonitrile;2-methyl-1-benzothiophene;2-methylnaphthalene;3-methylquinoline;1,2,4-trimethylbenzene
PubChem CID159402070
Molecular FormulaC62H63N3O3S
Molecular Weight930.27 g/mol
Exact Mass929.46
IUPAC Name2-methoxy-5-methylpyridine;5-methyl-1,3-benzodioxole;4-methylbenzonitrile;2-methyl-1-benzothiophene;2-methylnaphthalene;3-methylquinoline;1,2,4-trimethylbenzene
SMILESCOc1ccc(C)cn1.Cc1cc2ccccc2s1.Cc1ccc(C#N)cc1.Cc1ccc(C)c(C)c1.Cc1ccc2c(c1)OCO2.Cc1ccc2ccccc2c1.Cc1cnc2ccccc2c1
InChIInChI=1S/C11H10.C10H9N.C9H8S.C9H12.C8H7N.C8H8O2.C7H9NO/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-6-9-4-2-3-5-10(9)11-7-8;1-7-6-8-4-2-3-5-9(8)10-7;1-7-4-5-8(2)9(3)6-7;1-7-2-4-8(6-9)5-3-7;1-6-2-3-7-8(4-6)10-5-9-7;1-6-3-4-7(9-2)8-5-6/h2-8H,1H3;2-7H,1H3;2-6H,1H3;4-6H,1-3H3;2-5H,1H3;2-4H,5H2,1H3;3-5H,1-2H3
InChIKeyLNLVGNDDKSFCKP-UHFFFAOYSA-N
XLogP16.50
TPSA77.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.27
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-5-methylpyridine;5-methyl-1,3-benzodioxole;4-methylbenzonitrile;2-methyl-1-benzothiophene;2-methylnaphthalene;3-methylquinoline;1,2,4-trimethylbenzene with MolForge

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Related Compounds

5-[5-(1,3-Benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-2-methoxypyridine
CID 44202206
2-Tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;1-tert-butyl-2-phenylbenzene;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 158172708
3-(1,3-Benzodioxol-5-yl)-6-quinolin-3-ylisoquinoline
CID 129168801
4-(1,3-Benzodioxol-5-yl)-2-(quinolin-8-ylmethoxy)thiophene-3-carbonitrile
CID 137403649
5-Propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;bis(3-propan-2-ylpyridine);3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157346048
1,3-Dimethylindole;1,2-dimethylnaphthalene;1,4-dimethylnaphthalene;2-methoxy-1-methylnaphthalene;3-methyl-1-benzothiophene;8-methylisoquinoline;4-methylquinoline
CID 157571602
1-Ethynyl-4-methylbenzene;2-methoxy-5-methylpyridine;5-methyl-1,3-benzodioxole;2-methyl-1-benzothiophene;2-methylnaphthalene;3-methylquinoline;1,2,4-trimethylbenzene
CID 157637756
3-(1-Benzothiophen-3-yl)quinoline;1,4-dimethoxy-2-(4-phenylphenyl)benzene;3-(2,3-dimethoxyphenyl)quinoline
CID 158715652
4-[8-(1-Benzothiophen-2-ylmethoxy)-7-methoxy-3-methyl-3-methylideneiodazolo[5,4-c]quinolin-1-yl]benzonitrile
CID 159357765
5-Tert-butyl-1,3-benzodioxole;2-tert-butyl-1-benzothiophene;4-tert-butylisoquinoline;1-tert-butyl-4-phenoxybenzene;3-tert-butylquinoline
CID 159778274
5-Tert-butyl-1,3-benzodioxole;2-tert-butyl-1-benzothiophene;4-tert-butylisoquinoline;2-tert-butylnaphthalene;1-tert-butyl-4-phenoxybenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;3-tert-butylquinoline
CID 160094679
4-Tert-butyl-1-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)pyridin-1-ium;2-(2,4-difluoro-6-methylphenyl)-1-methylpyridin-1-ium;1,10-dimethylbenzo[h]quinolin-1-ium;2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(3-methyl-1-benzothiophen-2-yl)pyridin-1-ium
CID 162063037

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methylpyridine;5-methyl-1,3-benzodioxole;4-methylbenzonitrile;2-methyl-1-benzothiophene;2-methylnaphthalene;3-methylquinoline;1,2,4-trimethylbenzene?
The IUPAC name of 2-methoxy-5-methylpyridine;5-methyl-1,3-benzodioxole;4-methylbenzonitrile;2-methyl-1-benzothiophene;2-methylnaphthalene;3-methylquinoline;1,2,4-trimethylbenzene (CID 159402070) is 2-methoxy-5-methylpyridine;5-methyl-1,3-benzodioxole;4-methylbenzonitrile;2-methyl-1-benzothiophene;2-methylnaphthalene;3-methylquinoline;1,2,4-trimethylbenzene.
What is the SMILES notation for 2-methoxy-5-methylpyridine;5-methyl-1,3-benzodioxole;4-methylbenzonitrile;2-methyl-1-benzothiophene;2-methylnaphthalene;3-methylquinoline;1,2,4-trimethylbenzene?
The canonical SMILES for 2-methoxy-5-methylpyridine;5-methyl-1,3-benzodioxole;4-methylbenzonitrile;2-methyl-1-benzothiophene;2-methylnaphthalene;3-methylquinoline;1,2,4-trimethylbenzene is COc1ccc(C)cn1.Cc1cc2ccccc2s1.Cc1ccc(C#N)cc1.Cc1ccc(C)c(C)c1.Cc1ccc2c(c1)OCO2.Cc1ccc2ccccc2c1.Cc1cnc2ccccc2c1.
What is the InChIKey of 2-methoxy-5-methylpyridine;5-methyl-1,3-benzodioxole;4-methylbenzonitrile;2-methyl-1-benzothiophene;2-methylnaphthalene;3-methylquinoline;1,2,4-trimethylbenzene?
The InChIKey is LNLVGNDDKSFCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C10H9N.C9H8S.C9H12.C8H7N.C8H8O2.C7H9NO/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-6-9-4-2-3-5-10(9)11-7-8;1-7-6-8-4-2-3-5-9(8)10-7;1-7-4-5-8(2)9(3)6-7;1-7-2-4-8(6-9)5-3-7;1-6-2-3-7-8(4-6)10-5-9-7;1-6-3-4-7(9-2)8-5-6/h2-8H,1H3;2-7H,1H3;2-6H,1H3;4-6H,1-3H3;2-5H,1H3;2-4H,5H2,1H3;3-5H,1-2H3.
What are the key properties of 2-methoxy-5-methylpyridine;5-methyl-1,3-benzodioxole;4-methylbenzonitrile;2-methyl-1-benzothiophene;2-methylnaphthalene;3-methylquinoline;1,2,4-trimethylbenzene?
2-methoxy-5-methylpyridine;5-methyl-1,3-benzodioxole;4-methylbenzonitrile;2-methyl-1-benzothiophene;2-methylnaphthalene;3-methylquinoline;1,2,4-trimethylbenzene has a molecular weight of 930.27 g/mol, XLogP of 16.50, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methylpyridine;5-methyl-1,3-benzodioxole;4-methylbenzonitrile;2-methyl-1-benzothiophene;2-methylnaphthalene;3-methylquinoline;1,2,4-trimethylbenzene is sourced from PubChem (CID 159402070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).