3-ethyl-2,9-dimethylimidazo[1,5-b]isoquinolin-2-ium

C15H17N2+ — CID 163508612

IUPAC3-ethyl-2,9-dimethylimidazo[1,5-b]isoquinolin-2-ium
SMILESCCc1n2cc3cccc(C)c3cc2c[n+]1C
InChIInChI=1S/C15H17N2/c1-4-15-16(3)10-13-8-14-11(2)6-5-7-12(14)9-17(13)15/h5-10H,4H2,1-3H3/q+1
InChIKeyWZTUOZBXYQXIAW-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.79
Rot. Bonds1

About 3-ethyl-2,9-dimethylimidazo[1,5-b]isoquinolin-2-ium

3-ethyl-2,9-dimethylimidazo[1,5-b]isoquinolin-2-ium (PubChem CID 163508612) has the molecular formula C15H17N2+ and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-ethyl-2,9-dimethylimidazo[1,5-b]isoquinolin-2-ium.

Molecular Properties

Compound Name3-ethyl-2,9-dimethylimidazo[1,5-b]isoquinolin-2-ium
PubChem CID163508612
Molecular FormulaC15H17N2+
Molecular Weight225.31 g/mol
Exact Mass225.14
IUPAC Name3-ethyl-2,9-dimethylimidazo[1,5-b]isoquinolin-2-ium
SMILESCCc1n2cc3cccc(C)c3cc2c[n+]1C
InChIInChI=1S/C15H17N2/c1-4-15-16(3)10-13-8-14-11(2)6-5-7-12(14)9-17(13)15/h5-10H,4H2,1-3H3/q+1
InChIKeyWZTUOZBXYQXIAW-UHFFFAOYSA-N
XLogP2.79
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-2,7-dimethylimidazo[5,1-a]isoquinolin-2-ium
CID 163508611
6-ethyl-1,7-dimethylnaphthalene
CID 86142528
3-ethyl-2,5-dimethylimidazo[1,5-f]phenanthridin-2-ium
CID 163508616
10-ethyl-5,11-dimethyl-3-thia-9-aza-11-azoniatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene
CID 163591878
(8-methylnaphthalen-2-yl)oxyphosphane
CID 54177980
N,N,8-trimethylnaphthalen-2-amine
CID 118617152
(8-methylnaphthalen-2-yl)boronic acid
CID 118802367
methyl-(8-methylnaphthalen-2-yl)diazene
CID 58667322
7-(difluoromethyl)-1-methylnaphthalene
CID 118843150
19,26-dimethylhexacyclo[12.12.0.02,11.05,10.016,25.018,23]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene
CID 141092662
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
acetylene;ethane;1-methylnaphthalene
CID 167495690

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,9-dimethylimidazo[1,5-b]isoquinolin-2-ium?
The IUPAC name of 3-ethyl-2,9-dimethylimidazo[1,5-b]isoquinolin-2-ium (CID 163508612) is 3-ethyl-2,9-dimethylimidazo[1,5-b]isoquinolin-2-ium.
What is the SMILES notation for 3-ethyl-2,9-dimethylimidazo[1,5-b]isoquinolin-2-ium?
The canonical SMILES for 3-ethyl-2,9-dimethylimidazo[1,5-b]isoquinolin-2-ium is CCc1n2cc3cccc(C)c3cc2c[n+]1C.
What is the InChIKey of 3-ethyl-2,9-dimethylimidazo[1,5-b]isoquinolin-2-ium?
The InChIKey is WZTUOZBXYQXIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N2/c1-4-15-16(3)10-13-8-14-11(2)6-5-7-12(14)9-17(13)15/h5-10H,4H2,1-3H3/q+1.
What are the key properties of 3-ethyl-2,9-dimethylimidazo[1,5-b]isoquinolin-2-ium?
3-ethyl-2,9-dimethylimidazo[1,5-b]isoquinolin-2-ium has a molecular weight of 225.31 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,9-dimethylimidazo[1,5-b]isoquinolin-2-ium is sourced from PubChem (CID 163508612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).