1-(1-methylnaphthalen-2-yl)quinolin-1-ium

C20H16N+ — CID 18615815

IUPAC1-(1-methylnaphthalen-2-yl)quinolin-1-ium
SMILESCc1c(-[n+]2cccc3ccccc32)ccc2ccccc12
InChIInChI=1S/C20H16N/c1-15-18-10-4-2-7-16(18)12-13-19(15)21-14-6-9-17-8-3-5-11-20(17)21/h2-14H,1H3/q+1
InChIKeyGABKEPIYMVINNX-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.58
Rot. Bonds1

About 1-(1-methylnaphthalen-2-yl)quinolin-1-ium

1-(1-methylnaphthalen-2-yl)quinolin-1-ium (PubChem CID 18615815) has the molecular formula C20H16N+ and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-(1-methylnaphthalen-2-yl)quinolin-1-ium.

Molecular Properties

Compound Name1-(1-methylnaphthalen-2-yl)quinolin-1-ium
PubChem CID18615815
Molecular FormulaC20H16N+
Molecular Weight270.36 g/mol
Exact Mass270.13
IUPAC Name1-(1-methylnaphthalen-2-yl)quinolin-1-ium
SMILESCc1c(-[n+]2cccc3ccccc32)ccc2ccccc12
InChIInChI=1S/C20H16N/c1-15-18-10-4-2-7-16(18)12-13-19(15)21-14-6-9-17-8-3-5-11-20(17)21/h2-14H,1H3/q+1
InChIKeyGABKEPIYMVINNX-UHFFFAOYSA-N
XLogP4.58
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(1-methylnaphthalen-2-yl)quinolin-1-ium
CID 170403008
2-methyl-1-(1-methylnaphthalen-2-yl)-3-phenylimidazol-1-ium
CID 169302046
1-(1-methylnaphthalen-2-yl)pyridin-1-ium-3-carboxylic acid bromide
CID 69331969
1-(1-methylnaphthalen-2-yl)pyridin-1-ium-3-carboxylic acid chloride
CID 69331583
1,2-dimethylnaphthalene;ethane
CID 90922397
1,2-dimethylnaphthalene;hydrobromide
CID 174429192
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinolin-1-ium
CID 156770604
lithium;hydride;9-methylanthracene
CID 174773747
1,2-dimethylnaphthalene;ethane;propane
CID 90958253
(1-methylnaphthalen-2-yl)methanol
CID 15054223
1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium
CID 59522858
1-methylnaphthalene-2-sulfonamide
CID 57353049

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylnaphthalen-2-yl)quinolin-1-ium?
The IUPAC name of 1-(1-methylnaphthalen-2-yl)quinolin-1-ium (CID 18615815) is 1-(1-methylnaphthalen-2-yl)quinolin-1-ium.
What is the SMILES notation for 1-(1-methylnaphthalen-2-yl)quinolin-1-ium?
The canonical SMILES for 1-(1-methylnaphthalen-2-yl)quinolin-1-ium is Cc1c(-[n+]2cccc3ccccc32)ccc2ccccc12.
What is the InChIKey of 1-(1-methylnaphthalen-2-yl)quinolin-1-ium?
The InChIKey is GABKEPIYMVINNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N/c1-15-18-10-4-2-7-16(18)12-13-19(15)21-14-6-9-17-8-3-5-11-20(17)21/h2-14H,1H3/q+1.
What are the key properties of 1-(1-methylnaphthalen-2-yl)quinolin-1-ium?
1-(1-methylnaphthalen-2-yl)quinolin-1-ium has a molecular weight of 270.36 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylnaphthalen-2-yl)quinolin-1-ium is sourced from PubChem (CID 18615815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).