ethane;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-3H-pyrrole;3-methylquinoline;7-methylquinoline;8-methylquinoline;2-methylthiophene;3-methylthiophene

C69H104N6O2S2 — CID 158650213

IUPACethane;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-3H-pyrrole;3-methylquinoline;7-methylquinoline;8-methylquinoline;2-methylthiophene;3-methylthiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC1=CCC=N1.Cc1ccc2cccnc2c1.Cc1cccc2cccnc12.Cc1cccs1.Cc1ccno1.Cc1ccsc1.Cc1cnc2ccccc2c1.Cc1cnoc1
InChIInChI=1S/3C10H9N.C5H7N.2C5H6S.2C4H5NO.8C2H6/c1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-6-3-4;1-4-2-3-5-6-4;8*1-2/h3*2-7H,1H3;3-4H,2H2,1H3;2*2-4H,1H3;2*2-3H,1H3;8*1-2H3
InChIKeyIBLNIDPNWABFKX-UHFFFAOYSA-N
MW1113.76 g/mol
LogP23.28
Rot. Bonds

About ethane;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-3H-pyrrole;3-methylquinoline;7-methylquinoline;8-methylquinoline;2-methylthiophene;3-methylthiophene

ethane;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-3H-pyrrole;3-methylquinoline;7-methylquinoline;8-methylquinoline;2-methylthiophene;3-methylthiophene (PubChem CID 158650213) has the molecular formula C69H104N6O2S2 and a molecular weight of 1113.76 g/mol. Its IUPAC name is ethane;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-3H-pyrrole;3-methylquinoline;7-methylquinoline;8-methylquinoline;2-methylthiophene;3-methylthiophene.

Molecular Properties

Compound Nameethane;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-3H-pyrrole;3-methylquinoline;7-methylquinoline;8-methylquinoline;2-methylthiophene;3-methylthiophene
PubChem CID158650213
Molecular FormulaC69H104N6O2S2
Molecular Weight1113.76 g/mol
Exact Mass1112.77
IUPAC Nameethane;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-3H-pyrrole;3-methylquinoline;7-methylquinoline;8-methylquinoline;2-methylthiophene;3-methylthiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC1=CCC=N1.Cc1ccc2cccnc2c1.Cc1cccc2cccnc12.Cc1cccs1.Cc1ccno1.Cc1ccsc1.Cc1cnc2ccccc2c1.Cc1cnoc1
InChIInChI=1S/3C10H9N.C5H7N.2C5H6S.2C4H5NO.8C2H6/c1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-6-3-4;1-4-2-3-5-6-4;8*1-2/h3*2-7H,1H3;3-4H,2H2,1H3;2*2-4H,1H3;2*2-3H,1H3;8*1-2H3
InChIKeyIBLNIDPNWABFKX-UHFFFAOYSA-N
XLogP23.28
TPSA103.09 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001113.76
LogP ≤ 523.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethane;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-3H-pyrrole;3-methylquinoline;7-methylquinoline;8-methylquinoline;2-methylthiophene;3-methylthiophene with MolForge

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Related Compounds

1-benzyl-3-methylpyrrole;ethane;2-methyl-1-benzofuran;1-methylnaphthalene;2-methylnaphthalene;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;6-methylquinoline
CID 159011442
ethane;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine
CID 144598154
1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;8-methylquinoline
CID 159034817
1-tert-butyl-1,2,4-triazole;ethane;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,6-naphthyridine;4-(4-methylphenyl)-1,2-oxazole;4-(4-methylphenyl)-1H-1,2,4-triazol-5-one;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one;4-methyl-1,3-thiazole;3-methylthiolane
CID 158889841
2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;7-methylquinoline;toluene
CID 162257754
2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline
CID 159538435
6-methylquinoline
CID 7059
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;5-methylquinoline;bis(6-methylquinoline);bis(7-methylquinoline);8-methylquinoline;2-methyl-1,3,5-triazine;toluene
CID 160949105
1,4-dimethylacridine;2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,8-dimethylquinoxaline;6,7-dimethylquinoxaline
CID 159403810
ethane;4-methylphenanthridine;7-methylphenanthridine;8-methylphenanthridine;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline
CID 161402197
ethane;2-methyl-1,5-naphthyridine;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine;2-methylphenanthridine;3-methylphenanthridine;6-methylphenanthridine;8-methylphenanthridine;9-methylphenanthridine
CID 159182420
ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline
CID 158322819

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-3H-pyrrole;3-methylquinoline;7-methylquinoline;8-methylquinoline;2-methylthiophene;3-methylthiophene?
The IUPAC name of ethane;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-3H-pyrrole;3-methylquinoline;7-methylquinoline;8-methylquinoline;2-methylthiophene;3-methylthiophene (CID 158650213) is ethane;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-3H-pyrrole;3-methylquinoline;7-methylquinoline;8-methylquinoline;2-methylthiophene;3-methylthiophene.
What is the SMILES notation for ethane;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-3H-pyrrole;3-methylquinoline;7-methylquinoline;8-methylquinoline;2-methylthiophene;3-methylthiophene?
The canonical SMILES for ethane;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-3H-pyrrole;3-methylquinoline;7-methylquinoline;8-methylquinoline;2-methylthiophene;3-methylthiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCC=N1.Cc1ccc2cccnc2c1.Cc1cccc2cccnc12.Cc1cccs1.Cc1ccno1.Cc1ccsc1.Cc1cnc2ccccc2c1.Cc1cnoc1.
What is the InChIKey of ethane;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-3H-pyrrole;3-methylquinoline;7-methylquinoline;8-methylquinoline;2-methylthiophene;3-methylthiophene?
The InChIKey is IBLNIDPNWABFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H9N.C5H7N.2C5H6S.2C4H5NO.8C2H6/c1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-6-3-4;1-4-2-3-5-6-4;8*1-2/h3*2-7H,1H3;3-4H,2H2,1H3;2*2-4H,1H3;2*2-3H,1H3;8*1-2H3.
What are the key properties of ethane;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-3H-pyrrole;3-methylquinoline;7-methylquinoline;8-methylquinoline;2-methylthiophene;3-methylthiophene?
ethane;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-3H-pyrrole;3-methylquinoline;7-methylquinoline;8-methylquinoline;2-methylthiophene;3-methylthiophene has a molecular weight of 1113.76 g/mol, XLogP of 23.28, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-3H-pyrrole;3-methylquinoline;7-methylquinoline;8-methylquinoline;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 158650213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).