ethane;6-methylisoquinoline;6-methylquinoline

C22H24N2 — CID 142912911

IUPACethane;6-methylisoquinoline;6-methylquinoline
SMILESCC.Cc1ccc2cnccc2c1.Cc1ccc2ncccc2c1
InChIInChI=1S/2C10H9N.C2H6/c1-8-2-3-10-7-11-5-4-9(10)6-8;1-8-4-5-10-9(7-8)3-2-6-11-10;1-2/h2*2-7H,1H3;1-2H3
InChIKeyAUGFSLJGXYQLIT-UHFFFAOYSA-N
MW316.45 g/mol
LogP6.11
Rot. Bonds

About ethane;6-methylisoquinoline;6-methylquinoline

ethane;6-methylisoquinoline;6-methylquinoline (PubChem CID 142912911) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is ethane;6-methylisoquinoline;6-methylquinoline.

Molecular Properties

Compound Nameethane;6-methylisoquinoline;6-methylquinoline
PubChem CID142912911
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Nameethane;6-methylisoquinoline;6-methylquinoline
SMILESCC.Cc1ccc2cnccc2c1.Cc1ccc2ncccc2c1
InChIInChI=1S/2C10H9N.C2H6/c1-8-2-3-10-7-11-5-4-9(10)6-8;1-8-4-5-10-9(7-8)3-2-6-11-10;1-2/h2*2-7H,1H3;1-2H3
InChIKeyAUGFSLJGXYQLIT-UHFFFAOYSA-N
XLogP6.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;6-methylisoquinoline
CID 145106291
6-methylquinoline
CID 7059
4-methylpyridine;6-methylquinoline
CID 142243578
6-methylisoquinoline;5-methylquinoline
CID 154664232
iodoethane;6-methylquinoline
CID 160581758
2,7-phenanthroline;1,4-xylene
CID 67025193
4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)
CID 157141713
ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline
CID 158322819
ethane;1,7-naphthyridine;quinoline
CID 145375138
(E)-but-2-enedioic acid;bis(6-methylquinoline)
CID 139196250
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
ethane;7-methylisoquinoline;8-methylisoquinoline;7-methylquinazoline;6-methylquinoxaline
CID 162044218

Frequently Asked Questions

What is the IUPAC name of ethane;6-methylisoquinoline;6-methylquinoline?
The IUPAC name of ethane;6-methylisoquinoline;6-methylquinoline (CID 142912911) is ethane;6-methylisoquinoline;6-methylquinoline.
What is the SMILES notation for ethane;6-methylisoquinoline;6-methylquinoline?
The canonical SMILES for ethane;6-methylisoquinoline;6-methylquinoline is CC.Cc1ccc2cnccc2c1.Cc1ccc2ncccc2c1.
What is the InChIKey of ethane;6-methylisoquinoline;6-methylquinoline?
The InChIKey is AUGFSLJGXYQLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9N.C2H6/c1-8-2-3-10-7-11-5-4-9(10)6-8;1-8-4-5-10-9(7-8)3-2-6-11-10;1-2/h2*2-7H,1H3;1-2H3.
What are the key properties of ethane;6-methylisoquinoline;6-methylquinoline?
ethane;6-methylisoquinoline;6-methylquinoline has a molecular weight of 316.45 g/mol, XLogP of 6.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methylisoquinoline;6-methylquinoline is sourced from PubChem (CID 142912911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).