9-methylbenzo[g]isoquinoline

C14H11N — CID 167164777

IUPAC9-methylbenzo[g]isoquinoline
SMILESCc1cccc2cc3ccncc3cc12
InChIInChI=1S/C14H11N/c1-10-3-2-4-12-7-11-5-6-15-9-13(11)8-14(10)12/h2-9H,1H3
InChIKeyXRPIEJQYHNYQKI-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.70
Rot. Bonds

About 9-methylbenzo[g]isoquinoline

9-methylbenzo[g]isoquinoline (PubChem CID 167164777) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is 9-methylbenzo[g]isoquinoline.

Molecular Properties

Compound Name9-methylbenzo[g]isoquinoline
PubChem CID167164777
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Name9-methylbenzo[g]isoquinoline
SMILESCc1cccc2cc3ccncc3cc12
InChIInChI=1S/C14H11N/c1-10-3-2-4-12-7-11-5-6-15-9-13(11)8-14(10)12/h2-9H,1H3
InChIKeyXRPIEJQYHNYQKI-UHFFFAOYSA-N
XLogP3.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-azaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-heptadecaene
CID 91751532
3-methylheptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(30),2,4,6(36),7,9,11(35),12,14,16(34),17(33),18,20,22(32),23,25,27(31),28-octadecaene
CID 171043844
3-(isoquinolin-6-ylmethyl)-8-methylisoquinoline
CID 126637553
1,6-dimethylanthracene;ethane
CID 142009331
6-(isoquinolin-5-ylmethyl)-8-methylisoquinoline
CID 167020685
6-methylisoquinoline;5-methylquinoline
CID 154664232
7-fluoro-6-methylisoquinoline
CID 21300598
3-(5-methylnaphthalen-2-yl)pyridine
CID 126628486
1-isoquinolin-8-yl-1-(2-methylphenyl)ethanol
CID 103142671
11-methylnaphtho[1,2-h]isoquinoline
CID 134973288
3H-indazolo[5,4-g]isoquinoline
CID 118510133
1-methyl-7-propylanthracene
CID 174764021

Frequently Asked Questions

What is the IUPAC name of 9-methylbenzo[g]isoquinoline?
The IUPAC name of 9-methylbenzo[g]isoquinoline (CID 167164777) is 9-methylbenzo[g]isoquinoline.
What is the SMILES notation for 9-methylbenzo[g]isoquinoline?
The canonical SMILES for 9-methylbenzo[g]isoquinoline is Cc1cccc2cc3ccncc3cc12.
What is the InChIKey of 9-methylbenzo[g]isoquinoline?
The InChIKey is XRPIEJQYHNYQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c1-10-3-2-4-12-7-11-5-6-15-9-13(11)8-14(10)12/h2-9H,1H3.
What are the key properties of 9-methylbenzo[g]isoquinoline?
9-methylbenzo[g]isoquinoline has a molecular weight of 193.25 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylbenzo[g]isoquinoline is sourced from PubChem (CID 167164777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).