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

C140H176N16 — CID 157224388

IUPACethane;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
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2ccccc2cn1.Cc1ccc2ccccc2n1.Cc1ccc2cccnc2c1.Cc1ccc2ccncc2c1.Cc1ccc2cnccc2c1.Cc1ccc2cnccc2n1.Cc1ccc2ncccc2c1.Cc1ccc2ncccc2n1.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2n1.Cc1ncc2ccccc2n1.Cc1nccc2ccccc12
InChIInChI=1S/8C10H9N.4C9H8N2.12C2H6/c1-8-2-3-10-7-11-5-4-9(10)6-8;1-8-2-3-9-4-5-11-7-10(9)6-8;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;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;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-2-3-8-6-10-5-4-9(8)11-7;1-7-4-5-8-9(11-7)3-2-6-10-8;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-6-10-8-4-2-3-5-9(8)11-7;12*1-2/h8*2-7H,1H3;4*2-6H,1H3;12*1-2H3
InChIKeyATJHNNWQZHSKQH-UHFFFAOYSA-N
MW2083.06 g/mol
LogP40.41
Rot. Bonds

About 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

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 (PubChem CID 157224388) has the molecular formula C140H176N16 and a molecular weight of 2083.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;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
PubChem CID157224388
Molecular FormulaC140H176N16
Molecular Weight2083.06 g/mol
Exact Mass2081.43
IUPAC Nameethane;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
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2ccccc2cn1.Cc1ccc2ccccc2n1.Cc1ccc2cccnc2c1.Cc1ccc2ccncc2c1.Cc1ccc2cnccc2c1.Cc1ccc2cnccc2n1.Cc1ccc2ncccc2c1.Cc1ccc2ncccc2n1.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2n1.Cc1ncc2ccccc2n1.Cc1nccc2ccccc12
InChIInChI=1S/8C10H9N.4C9H8N2.12C2H6/c1-8-2-3-10-7-11-5-4-9(10)6-8;1-8-2-3-9-4-5-11-7-10(9)6-8;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;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;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-2-3-8-6-10-5-4-9(8)11-7;1-7-4-5-8-9(11-7)3-2-6-10-8;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-6-10-8-4-2-3-5-9(8)11-7;12*1-2/h8*2-7H,1H3;4*2-6H,1H3;12*1-2H3
InChIKeyATJHNNWQZHSKQH-UHFFFAOYSA-N
XLogP40.41
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002083.06
LogP ≤ 540.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline
CID 158322819
3-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methyl-1,7-naphthyridine;2-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline
CID 159073131
ethane;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methyl-1,7-naphthyridine;2-methyl-1,8-naphthyridine;3-methyl-1,8-naphthyridine;3-methyl-2,6-naphthyridine;3-methyl-2,7-naphthyridine;6-methyl-1,7-naphthyridine;7-methyl-1,6-naphthyridine
CID 158451285
3,6-dimethylisoquinoline;bis(3,7-dimethylisoquinoline);2,6-dimethylquinoline;bis(3,6-dimethylquinoline);3,7-dimethylquinoline;ethane
CID 160987089
ethane;6-methylisoquinoline;6-methylquinoline
CID 142912911
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
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
3,6-dimethylcinnoline;3,7-dimethyl-1,6-naphthyridine;2,6-dimethylquinazoline;2,7-dimethylquinazoline;bis(2,7-dimethylquinoxaline);ethane
CID 157148053
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
acridine;isoquinoline;phenanthridine;quinoline
CID 159436284
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;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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2ccccc2cn1.Cc1ccc2ccccc2n1.Cc1ccc2cccnc2c1.Cc1ccc2ccncc2c1.Cc1ccc2cnccc2c1.Cc1ccc2cnccc2n1.Cc1ccc2ncccc2c1.Cc1ccc2ncccc2n1.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2n1.Cc1ncc2ccccc2n1.Cc1nccc2ccccc12.
What is the InChIKey of 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?
The InChIKey is ATJHNNWQZHSKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/8C10H9N.4C9H8N2.12C2H6/c1-8-2-3-10-7-11-5-4-9(10)6-8;1-8-2-3-9-4-5-11-7-10(9)6-8;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;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;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-2-3-8-6-10-5-4-9(8)11-7;1-7-4-5-8-9(11-7)3-2-6-10-8;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-6-10-8-4-2-3-5-9(8)11-7;12*1-2/h8*2-7H,1H3;4*2-6H,1H3;12*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2083.06 g/mol, XLogP of 40.41, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157224388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).