2-ethyl-1-(4-methyl-2-pyridinyl)-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium

C25H23N2+ — CID 144669311

IUPAC2-ethyl-1-(4-methyl-2-pyridinyl)-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium
SMILESCCc1ccc2c(c1-c1cc(C)ccn1)-c1c3ccccc3cc[n+]1CC2
InChIInChI=1S/C25H23N2/c1-3-18-8-9-20-12-15-27-14-11-19-6-4-5-7-21(19)25(27)24(20)23(18)22-16-17(2)10-13-26-22/h4-11,13-14,16H,3,12,15H2,1-2H3/q+1
InChIKeyRLIVKTFBGKFUEX-UHFFFAOYSA-N
MW351.47 g/mol
LogP5.28
Rot. Bonds2

About 2-ethyl-1-(4-methyl-2-pyridinyl)-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium

2-ethyl-1-(4-methyl-2-pyridinyl)-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium (PubChem CID 144669311) has the molecular formula C25H23N2+ and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-ethyl-1-(4-methyl-2-pyridinyl)-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium.

Molecular Properties

Compound Name2-ethyl-1-(4-methyl-2-pyridinyl)-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium
PubChem CID144669311
Molecular FormulaC25H23N2+
Molecular Weight351.47 g/mol
Exact Mass351.19
IUPAC Name2-ethyl-1-(4-methyl-2-pyridinyl)-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium
SMILESCCc1ccc2c(c1-c1cc(C)ccn1)-c1c3ccccc3cc[n+]1CC2
InChIInChI=1S/C25H23N2/c1-3-18-8-9-20-12-15-27-14-11-19-6-4-5-7-21(19)25(27)24(20)23(18)22-16-17(2)10-13-26-22/h4-11,13-14,16H,3,12,15H2,1-2H3/q+1
InChIKeyRLIVKTFBGKFUEX-UHFFFAOYSA-N
XLogP5.28
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethyl-1-(4-methyl-2-pyridinyl)-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-10-propyl-11-pyridin-2-yl-6,7-dihydrobenzo[a]quinolizin-5-ium
CID 118545985
5,12,13-trimethyl-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3(8),4,6,12,17(26),18,20,22,24-undecaene diiodide
CID 139185710
4-[(1E,3E)-4-[2-(10-ethyl-6,7-dihydrobenzo[a]quinolizin-5-ium-11-yl)-4-pyridinyl]buta-1,3-dienyl]-N,N-dimethylaniline
CID 126607709
triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane
CID 134843616
bis(dihydrogen phosphate);16,17-dimethyl-12,21-diazoniaheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene
CID 71567984
4-methyl-2-naphthalen-1-ylpyridine
CID 13433020
2-[4-[(E)-2-anthracen-9-ylethenyl]-2-(4-methyl-2-pyridinyl)pyridin-1-ium-1-yl]ethanamine
CID 23787833
1-isoquinolin-1-yl-2-methylisoquinolin-2-ium
CID 102203995
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;oxovanadium
CID 139924983
tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+)
CID 154828609
copper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
CID 23557697
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine
CID 158258168

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methyl-2-pyridinyl)-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium?
The IUPAC name of 2-ethyl-1-(4-methyl-2-pyridinyl)-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium (CID 144669311) is 2-ethyl-1-(4-methyl-2-pyridinyl)-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium.
What is the SMILES notation for 2-ethyl-1-(4-methyl-2-pyridinyl)-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium?
The canonical SMILES for 2-ethyl-1-(4-methyl-2-pyridinyl)-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium is CCc1ccc2c(c1-c1cc(C)ccn1)-c1c3ccccc3cc[n+]1CC2.
What is the InChIKey of 2-ethyl-1-(4-methyl-2-pyridinyl)-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium?
The InChIKey is RLIVKTFBGKFUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N2/c1-3-18-8-9-20-12-15-27-14-11-19-6-4-5-7-21(19)25(27)24(20)23(18)22-16-17(2)10-13-26-22/h4-11,13-14,16H,3,12,15H2,1-2H3/q+1.
What are the key properties of 2-ethyl-1-(4-methyl-2-pyridinyl)-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium?
2-ethyl-1-(4-methyl-2-pyridinyl)-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium has a molecular weight of 351.47 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methyl-2-pyridinyl)-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium is sourced from PubChem (CID 144669311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).