4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)

C103H93N7 — CID 157141713

IUPAC4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)
SMILESCc1ccc2ccccc2c1.Cc1ccc2ccccc2c1.Cc1ccc2ncccc2c1.Cc1ccc2ncccc2c1.Cc1cccc2ccccc12.Cc1cccc2cnccc12.Cc1cccc2ncccc12.Cc1ccnc2ccccc12.Cc1ccnc2ccccc12.Cc1cncc2ccccc12
InChIInChI=1S/3C11H10.7C10H9N/c1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-4-2-6-10-9(8)5-3-7-11-10;2*1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-6-11-7-9-4-2-3-5-10(8)9;2*1-8-6-7-11-10-5-3-2-4-9(8)10/h3*2-8H,1H3;7*2-7H,1H3
InChIKeyAKGLPKRCCPWJDP-UHFFFAOYSA-N
MW1428.93 g/mol
LogP27.25
Rot. Bonds

About 4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)

4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline) (PubChem CID 157141713) has the molecular formula C103H93N7 and a molecular weight of 1428.93 g/mol. Its IUPAC name is 4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline).

Molecular Properties

Compound Name4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)
PubChem CID157141713
Molecular FormulaC103H93N7
Molecular Weight1428.93 g/mol
Exact Mass1427.75
IUPAC Name4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)
SMILESCc1ccc2ccccc2c1.Cc1ccc2ccccc2c1.Cc1ccc2ncccc2c1.Cc1ccc2ncccc2c1.Cc1cccc2ccccc12.Cc1cccc2cnccc12.Cc1cccc2ncccc12.Cc1ccnc2ccccc12.Cc1ccnc2ccccc12.Cc1cncc2ccccc12
InChIInChI=1S/3C11H10.7C10H9N/c1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-4-2-6-10-9(8)5-3-7-11-10;2*1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-6-11-7-9-4-2-3-5-10(8)9;2*1-8-6-7-11-10-5-3-2-4-9(8)10/h3*2-8H,1H3;7*2-7H,1H3
InChIKeyAKGLPKRCCPWJDP-UHFFFAOYSA-N
XLogP27.25
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001428.93
LogP ≤ 527.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline) 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
1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;8-methylquinoline
CID 159034817
ethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline
CID 158608912
6-methylisoquinoline;5-methylquinoline
CID 154664232
ethane;6-methylisoquinoline;6-methylquinoline
CID 142912911
1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine
CID 161038141
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
2,7-phenanthroline;1,4-xylene
CID 67025193
6-methylquinoline
CID 7059
acridine;isoquinoline;phenanthridine;quinoline
CID 159436284
4-methylpyridine;6-methylquinoline
CID 142243578
ethane;7-methylisoquinoline;8-methylisoquinoline;7-methylquinazoline;6-methylquinoxaline
CID 162044218

Frequently Asked Questions

What is the IUPAC name of 4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)?
The IUPAC name of 4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline) (CID 157141713) is 4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline).
What is the SMILES notation for 4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)?
The canonical SMILES for 4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline) is Cc1ccc2ccccc2c1.Cc1ccc2ccccc2c1.Cc1ccc2ncccc2c1.Cc1ccc2ncccc2c1.Cc1cccc2ccccc12.Cc1cccc2cnccc12.Cc1cccc2ncccc12.Cc1ccnc2ccccc12.Cc1ccnc2ccccc12.Cc1cncc2ccccc12.
What is the InChIKey of 4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)?
The InChIKey is AKGLPKRCCPWJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H10.7C10H9N/c1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-4-2-6-10-9(8)5-3-7-11-10;2*1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-6-11-7-9-4-2-3-5-10(8)9;2*1-8-6-7-11-10-5-3-2-4-9(8)10/h3*2-8H,1H3;7*2-7H,1H3.
What are the key properties of 4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)?
4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline) has a molecular weight of 1428.93 g/mol, XLogP of 27.25, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline) is sourced from PubChem (CID 157141713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).