ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline

C96H120N8 — CID 158322819

IUPACethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2ccccc2cn1.Cc1ccc2cnccc2c1.Cc1ccc2ncccc2c1.Cc1cccc2ncccc12.Cc1ccnc2ccccc12.Cc1cnc2ccccc2c1.Cc1cncc2ccccc12.Cc1nccc2ccccc12
InChIInChI=1S/8C10H9N.8C2H6/c1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-2-3-10-7-11-5-4-9(10)6-8;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-6-11-7-9-4-2-3-5-10(8)9;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-10-5-3-2-4-9(10)6-7-11-8;1-8-6-7-11-10-5-3-2-4-9(8)10;8*1-2/h8*2-7H,1H3;8*1-2H3
InChIKeyGPBDNTYAOCNDSD-UHFFFAOYSA-N
MW1386.07 g/mol
LogP28.56
Rot. Bonds

About ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline

ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline (PubChem CID 158322819) has the molecular formula C96H120N8 and a molecular weight of 1386.07 g/mol. Its IUPAC name is ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline.

Molecular Properties

Compound Nameethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline
PubChem CID158322819
Molecular FormulaC96H120N8
Molecular Weight1386.07 g/mol
Exact Mass1384.96
IUPAC Nameethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2ccccc2cn1.Cc1ccc2cnccc2c1.Cc1ccc2ncccc2c1.Cc1cccc2ncccc12.Cc1ccnc2ccccc12.Cc1cnc2ccccc2c1.Cc1cncc2ccccc12.Cc1nccc2ccccc12
InChIInChI=1S/8C10H9N.8C2H6/c1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-2-3-10-7-11-5-4-9(10)6-8;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-6-11-7-9-4-2-3-5-10(8)9;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-10-5-3-2-4-9(10)6-7-11-8;1-8-6-7-11-10-5-3-2-4-9(8)10;8*1-2/h8*2-7H,1H3;8*1-2H3
InChIKeyGPBDNTYAOCNDSD-UHFFFAOYSA-N
XLogP28.56
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001386.07
LogP ≤ 528.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline
CID 158608912
1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;8-methylquinoline
CID 159034817
4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)
CID 157141713
ethane;1-methylisoquinoline;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methylquinoxaline
CID 157224388
6-methylisoquinoline;5-methylquinoline
CID 154664232
ethane;6-methylisoquinoline;6-methylquinoline
CID 142912911
2-methyl-1,7-naphthyridine;3-methyl-1,7-naphthyridine;4-methyl-1,7-naphthyridine;5-methyl-1,7-naphthyridine;6-methyl-1,7-naphthyridine;8-methyl-1,7-naphthyridine
CID 159437852
1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;bis(6-methylisoquinoline);1-methylnaphthalene;bis(2-methylnaphthalene);12-methylphenanthro[9,10-b]pyridine;2-methyl-4-phenylquinazoline;2-methylquinazoline;4-methylquinazoline;6-methylquinazoline;4-methylquinoline;bis(5-methylquinoline);bis(6-methylquinoline);bis(8-methylquinoline);2-methylquinoxaline;5-methylquinoxaline;1-methyltriphenylene;2-methyltriphenylene
CID 157298611
bis(1,5-dimethylisoquinoline);bis(3,7-dimethylisoquinoline);1,5-dimethylnaphthalene;2,6-dimethylnaphthalene
CID 167678375
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;1-methyl-2,6-naphthyridine;1-methyl-2,7-naphthyridine;4-methyl-1,8-naphthyridine;4-methyl-2,6-naphthyridine;4-methyl-2,7-naphthyridine;5-methyl-1,6-naphthyridine;5-methyl-1,7-naphthyridine;8-methyl-1,6-naphthyridine;8-methyl-1,7-naphthyridine
CID 158920614
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

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline?
The IUPAC name of ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline (CID 158322819) is ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline.
What is the SMILES notation for ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline?
The canonical SMILES for ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline is CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2ccccc2cn1.Cc1ccc2cnccc2c1.Cc1ccc2ncccc2c1.Cc1cccc2ncccc12.Cc1ccnc2ccccc12.Cc1cnc2ccccc2c1.Cc1cncc2ccccc12.Cc1nccc2ccccc12.
What is the InChIKey of ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline?
The InChIKey is GPBDNTYAOCNDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/8C10H9N.8C2H6/c1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-2-3-10-7-11-5-4-9(10)6-8;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-6-11-7-9-4-2-3-5-10(8)9;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-10-5-3-2-4-9(10)6-7-11-8;1-8-6-7-11-10-5-3-2-4-9(8)10;8*1-2/h8*2-7H,1H3;8*1-2H3.
What are the key properties of ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline?
ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline has a molecular weight of 1386.07 g/mol, XLogP of 28.56, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline is sourced from PubChem (CID 158322819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).