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

C21H18N+ — CID 170403008

IUPAC2-methyl-1-(1-methylnaphthalen-2-yl)quinolin-1-ium
SMILESCc1c(-[n+]2c(C)ccc3ccccc32)ccc2ccccc12
InChIInChI=1S/C21H18N/c1-15-11-12-18-8-4-6-10-21(18)22(15)20-14-13-17-7-3-5-9-19(17)16(20)2/h3-14H,1-2H3/q+1
InChIKeyDWCAZOAKLIHUHG-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.89
Rot. Bonds1

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

2-methyl-1-(1-methylnaphthalen-2-yl)quinolin-1-ium (PubChem CID 170403008) has the molecular formula C21H18N+ and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methyl-1-(1-methylnaphthalen-2-yl)quinolin-1-ium.

Molecular Properties

Compound Name2-methyl-1-(1-methylnaphthalen-2-yl)quinolin-1-ium
PubChem CID170403008
Molecular FormulaC21H18N+
Molecular Weight284.38 g/mol
Exact Mass284.14
IUPAC Name2-methyl-1-(1-methylnaphthalen-2-yl)quinolin-1-ium
SMILESCc1c(-[n+]2c(C)ccc3ccccc32)ccc2ccccc12
InChIInChI=1S/C21H18N/c1-15-11-12-18-8-4-6-10-21(18)22(15)20-14-13-17-7-3-5-9-19(17)16(20)2/h3-14H,1-2H3/q+1
InChIKeyDWCAZOAKLIHUHG-UHFFFAOYSA-N
XLogP4.89
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.89
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylnaphthalen-2-yl)quinolin-1-ium?
The IUPAC name of 2-methyl-1-(1-methylnaphthalen-2-yl)quinolin-1-ium (CID 170403008) is 2-methyl-1-(1-methylnaphthalen-2-yl)quinolin-1-ium.
What is the SMILES notation for 2-methyl-1-(1-methylnaphthalen-2-yl)quinolin-1-ium?
The canonical SMILES for 2-methyl-1-(1-methylnaphthalen-2-yl)quinolin-1-ium is Cc1c(-[n+]2c(C)ccc3ccccc32)ccc2ccccc12.
What is the InChIKey of 2-methyl-1-(1-methylnaphthalen-2-yl)quinolin-1-ium?
The InChIKey is DWCAZOAKLIHUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N/c1-15-11-12-18-8-4-6-10-21(18)22(15)20-14-13-17-7-3-5-9-19(17)16(20)2/h3-14H,1-2H3/q+1.
What are the key properties of 2-methyl-1-(1-methylnaphthalen-2-yl)quinolin-1-ium?
2-methyl-1-(1-methylnaphthalen-2-yl)quinolin-1-ium has a molecular weight of 284.38 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylnaphthalen-2-yl)quinolin-1-ium is sourced from PubChem (CID 170403008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).