2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine

C20H18N3+ — CID 153102145

IUPAC2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine
SMILESCc1c[n+](C)c(-c2cc3c(cc2C)ncc2ccccc23)cn1
InChIInChI=1S/C20H18N3/c1-13-8-19-18(16-7-5-4-6-15(16)10-22-19)9-17(13)20-11-21-14(2)12-23(20)3/h4-12H,1-3H3/q+1
InChIKeyAGCVEZLVXLUGSL-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.89
Rot. Bonds1

About 2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine

2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine (PubChem CID 153102145) has the molecular formula C20H18N3+ and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine
PubChem CID153102145
Molecular FormulaC20H18N3+
Molecular Weight300.39 g/mol
Exact Mass300.15
IUPAC Name2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine
SMILESCc1c[n+](C)c(-c2cc3c(cc2C)ncc2ccccc23)cn1
InChIInChI=1S/C20H18N3/c1-13-8-19-18(16-7-5-4-6-15(16)10-22-19)9-17(13)20-11-21-14(2)12-23(20)3/h4-12H,1-3H3/q+1
InChIKeyAGCVEZLVXLUGSL-UHFFFAOYSA-N
XLogP3.89
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethyl-2-(2-methylphenanthren-3-yl)pyrazin-1-ium;2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine;9-(1,5-dimethylpyrazin-1-ium-2-yl)-8-methylphenanthridine;9-(1,4-dimethylpyrimidin-1-ium-2-yl)-8-methylphenanthridine;3-methyl-2-(1-methylpyrimidin-1-ium-2-yl)phenanthridine
CID 159788506
3,6-dimethyl-2-(1,4,5-trimethylpyridin-1-ium-2-yl)phenanthridine
CID 157152873
2-methylphenanthridine
CID 14384826
1,4-dimethyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium
CID 159036743
2-(2,3-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethylpyrazin-1-ium
CID 169032863
phenanthridine
CID 9189
3-(4-iodophenyl)phenanthridine
CID 144968877
phenanthridine;platinum(2+)
CID 23616726
9,11-dimethyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline
CID 140827762
8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline
CID 158880760
6-(1,5-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-[1]benzofuro[2,3-c]pyridine
CID 160809491
2-methyl-3-(6-methyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-7-yl)isoquinolin-2-ium
CID 176787840

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine?
The IUPAC name of 2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine (CID 153102145) is 2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine.
What is the SMILES notation for 2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine?
The canonical SMILES for 2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine is Cc1c[n+](C)c(-c2cc3c(cc2C)ncc2ccccc23)cn1.
What is the InChIKey of 2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine?
The InChIKey is AGCVEZLVXLUGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N3/c1-13-8-19-18(16-7-5-4-6-15(16)10-22-19)9-17(13)20-11-21-14(2)12-23(20)3/h4-12H,1-3H3/q+1.
What are the key properties of 2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine?
2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine has a molecular weight of 300.39 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine is sourced from PubChem (CID 153102145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).