ethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline

C84H105N7 — CID 158608912

IUPACethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1cccc2ccncc12.Cc1cccc2cnccc12.Cc1cccc2ncccc12.Cc1ccnc2ccccc12.Cc1cnc2ccccc2c1.Cc1cncc2ccccc12.Cc1nccc2ccccc12
InChIInChI=1S/7C10H9N.7C2H6/c1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-3-2-4-9-5-6-11-7-10(8)9;1-8-6-11-7-9-4-2-3-5-10(8)9;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;7*1-2/h7*2-7H,1H3;7*1-2H3
InChIKeyHWOVRMKFEUGIFL-UHFFFAOYSA-N
MW1212.81 g/mol
LogP24.99
Rot. Bonds

About ethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline

ethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline (PubChem CID 158608912) has the molecular formula C84H105N7 and a molecular weight of 1212.81 g/mol. Its IUPAC name is ethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline.

Molecular Properties

Compound Nameethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline
PubChem CID158608912
Molecular FormulaC84H105N7
Molecular Weight1212.81 g/mol
Exact Mass1211.84
IUPAC Nameethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1cccc2ccncc12.Cc1cccc2cnccc12.Cc1cccc2ncccc12.Cc1ccnc2ccccc12.Cc1cnc2ccccc2c1.Cc1cncc2ccccc12.Cc1nccc2ccccc12
InChIInChI=1S/7C10H9N.7C2H6/c1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-3-2-4-9-5-6-11-7-10(8)9;1-8-6-11-7-9-4-2-3-5-10(8)9;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;7*1-2/h7*2-7H,1H3;7*1-2H3
InChIKeyHWOVRMKFEUGIFL-UHFFFAOYSA-N
XLogP24.99
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001212.81
LogP ≤ 524.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;8-methylquinoline
CID 159034817
ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline
CID 158322819
4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)
CID 157141713
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;1-methyl-2,6-naphthyridine;1-methyl-2,7-naphthyridine;3-methyl-1,5-naphthyridine;3-methyl-1,6-naphthyridine;3-methyl-1,7-naphthyridine;3-methyl-1,8-naphthyridine;5-methyl-1,6-naphthyridine;8-methyl-1,7-naphthyridine;4-methylquinazoline
CID 158792411
6-methylisoquinoline;5-methylquinoline
CID 154664232
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
acridine;isoquinoline;phenanthridine;quinoline
CID 159436284
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
1,4-dimethyl-2,7-naphthyridine;2,4-dimethyl-1,7-naphthyridine;1,7-dimethylphthalazine;1-methyl-2,7-naphthyridine;4-methyl-1,7-naphthyridine;4-methyl-2,7-naphthyridine;5-methylphthalazine;6-methylphthalazine;1,4,8-trimethyl-2,7-naphthyridine
CID 163861517
ethane;1-methylisoquinoline;2-methylpyrazine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;4-methylquinoline;2-methyl-1,3,5-triazine
CID 159290703

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline?
The IUPAC name of ethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline (CID 158608912) is ethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline.
What is the SMILES notation for ethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline?
The canonical SMILES for ethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline is CC.CC.CC.CC.CC.CC.CC.Cc1cccc2ccncc12.Cc1cccc2cnccc12.Cc1cccc2ncccc12.Cc1ccnc2ccccc12.Cc1cnc2ccccc2c1.Cc1cncc2ccccc12.Cc1nccc2ccccc12.
What is the InChIKey of ethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline?
The InChIKey is HWOVRMKFEUGIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/7C10H9N.7C2H6/c1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-3-2-4-9-5-6-11-7-10(8)9;1-8-6-11-7-9-4-2-3-5-10(8)9;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;7*1-2/h7*2-7H,1H3;7*1-2H3.
What are the key properties of ethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline?
ethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline has a molecular weight of 1212.81 g/mol, XLogP of 24.99, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline is sourced from PubChem (CID 158608912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).