8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline

C20H17N2+ — CID 158880760

IUPAC8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline
SMILESCc1cc2ccc3cccnc3c2cc1-c1cccc[n+]1C
InChIInChI=1S/C20H17N2/c1-14-12-16-9-8-15-6-5-10-21-20(15)18(16)13-17(14)19-7-3-4-11-22(19)2/h3-13H,1-2H3/q+1
InChIKeyGWNQBBFITNIGAD-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.19
Rot. Bonds1

About 8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline

8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline (PubChem CID 158880760) has the molecular formula C20H17N2+ and a molecular weight of 285.37 g/mol. Its IUPAC name is 8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline.

Molecular Properties

Compound Name8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline
PubChem CID158880760
Molecular FormulaC20H17N2+
Molecular Weight285.37 g/mol
Exact Mass285.14
IUPAC Name8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline
SMILESCc1cc2ccc3cccnc3c2cc1-c1cccc[n+]1C
InChIInChI=1S/C20H17N2/c1-14-12-16-9-8-15-6-5-10-21-20(15)18(16)13-17(14)19-7-3-4-11-22(19)2/h3-13H,1-2H3/q+1
InChIKeyGWNQBBFITNIGAD-UHFFFAOYSA-N
XLogP4.19
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline
CID 140828029
6-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-oxa-20-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16(21),17,19-decaene
CID 171051653
2-(5-anthracen-1-yl-2-methylphenyl)-1-methylpyridin-1-ium;1-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]acridine;6-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;7-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;bis(8-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline)
CID 160592799
1,4-dimethyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium
CID 159036743
bis(2,3-dimethyl-1,10-phenanthroline);hydrate
CID 174743751
1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium
CID 59522858
1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium
CID 177074990
8-methyl-7-(1-methylpyridin-1-ium-2-yl)isoquinoline
CID 140917887
ethane;1-methyl-2-(3-methylanthracen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-2-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-4-yl)pyridin-1-ium;1-methyl-2-(4-methylphenanthren-3-yl)pyridin-1-ium
CID 159518590
7-methyl-8-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole
CID 140889717
7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 123481860
1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium
CID 140720316

Frequently Asked Questions

What is the IUPAC name of 8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline?
The IUPAC name of 8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline (CID 158880760) is 8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline.
What is the SMILES notation for 8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline?
The canonical SMILES for 8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline is Cc1cc2ccc3cccnc3c2cc1-c1cccc[n+]1C.
What is the InChIKey of 8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline?
The InChIKey is GWNQBBFITNIGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N2/c1-14-12-16-9-8-15-6-5-10-21-20(15)18(16)13-17(14)19-7-3-4-11-22(19)2/h3-13H,1-2H3/q+1.
What are the key properties of 8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline?
8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline has a molecular weight of 285.37 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline is sourced from PubChem (CID 158880760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).