1-(naphthalen-2-ylmethyl)quinolin-1-ium

C20H16N+ — CID 139742100

IUPAC1-(naphthalen-2-ylmethyl)quinolin-1-ium
SMILESc1ccc2cc(C[n+]3cccc4ccccc43)ccc2c1
InChIInChI=1S/C20H16N/c1-2-8-19-14-16(11-12-17(19)6-1)15-21-13-5-9-18-7-3-4-10-20(18)21/h1-14H,15H2/q+1
InChIKeyUOOZUWQSYFNBBT-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.33
Rot. Bonds2

About 1-(naphthalen-2-ylmethyl)quinolin-1-ium

1-(naphthalen-2-ylmethyl)quinolin-1-ium (PubChem CID 139742100) has the molecular formula C20H16N+ and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-(naphthalen-2-ylmethyl)quinolin-1-ium.

Molecular Properties

Compound Name1-(naphthalen-2-ylmethyl)quinolin-1-ium
PubChem CID139742100
Molecular FormulaC20H16N+
Molecular Weight270.36 g/mol
Exact Mass270.13
IUPAC Name1-(naphthalen-2-ylmethyl)quinolin-1-ium
SMILESc1ccc2cc(C[n+]3cccc4ccccc43)ccc2c1
InChIInChI=1S/C20H16N/c1-2-8-19-14-16(11-12-17(19)6-1)15-21-13-5-9-18-7-3-4-10-20(18)21/h1-14H,15H2/q+1
InChIKeyUOOZUWQSYFNBBT-UHFFFAOYSA-N
XLogP4.33
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.33
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

1-benzylquinolin-1-ium;1,1,2,2-tetraphenylethane-1,2-diol
CID 162212914
1-[3-[4-[4-(3-quinolin-1-ium-1-ylpropyl)phenyl]phenyl]propyl]quinolin-1-ium
CID 72721562
1-(2-quinolin-1-ium-1-ylethyl)quinolin-1-ium dibromide
CID 53422079
1-[(E)-4-quinolin-1-ium-1-ylbut-2-enyl]quinolin-1-ium dibromide
CID 54580374
1-[(4-bromophenyl)methyl]quinolin-1-ium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139742155
1-(11-quinolin-1-ium-1-ylundecyl)quinolin-1-ium
CID 11238482
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
1-[(4-tert-butylphenyl)methyl]quinolin-1-ium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139742286
1-(8-quinolin-1-ium-1-yloctyl)quinolin-1-ium dibromide
CID 54581375
6-chloro-3-(naphthalen-2-ylmethyl)-1,3-benzothiazol-3-ium bromide
CID 13154589
1-[(4-bromo-2-fluorophenyl)methyl]quinolin-1-ium
CID 86056972

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-2-ylmethyl)quinolin-1-ium?
The IUPAC name of 1-(naphthalen-2-ylmethyl)quinolin-1-ium (CID 139742100) is 1-(naphthalen-2-ylmethyl)quinolin-1-ium.
What is the SMILES notation for 1-(naphthalen-2-ylmethyl)quinolin-1-ium?
The canonical SMILES for 1-(naphthalen-2-ylmethyl)quinolin-1-ium is c1ccc2cc(C[n+]3cccc4ccccc43)ccc2c1.
What is the InChIKey of 1-(naphthalen-2-ylmethyl)quinolin-1-ium?
The InChIKey is UOOZUWQSYFNBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N/c1-2-8-19-14-16(11-12-17(19)6-1)15-21-13-5-9-18-7-3-4-10-20(18)21/h1-14H,15H2/q+1.
What are the key properties of 1-(naphthalen-2-ylmethyl)quinolin-1-ium?
1-(naphthalen-2-ylmethyl)quinolin-1-ium has a molecular weight of 270.36 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-2-ylmethyl)quinolin-1-ium is sourced from PubChem (CID 139742100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).