2-(4-methoxyphenyl)quinolin-1-ium

C16H14NO+ — CID 102579036

IUPAC2-(4-methoxyphenyl)quinolin-1-ium
SMILESCOc1ccc(-c2ccc3ccccc3[nH+]2)cc1
InChIInChI=1S/C16H13NO/c1-18-14-9-6-13(7-10-14)16-11-8-12-4-2-3-5-15(12)17-16/h2-11H,1H3/p+1
InChIKeyNXYDIDCWFYLWKZ-UHFFFAOYSA-O
MW236.29 g/mol
LogP3.33
Rot. Bonds2

About 2-(4-methoxyphenyl)quinolin-1-ium

2-(4-methoxyphenyl)quinolin-1-ium (PubChem CID 102579036) has the molecular formula C16H14NO+ and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)quinolin-1-ium.

Molecular Properties

Compound Name2-(4-methoxyphenyl)quinolin-1-ium
PubChem CID102579036
Molecular FormulaC16H14NO+
Molecular Weight236.29 g/mol
Exact Mass236.11
IUPAC Name2-(4-methoxyphenyl)quinolin-1-ium
SMILESCOc1ccc(-c2ccc3ccccc3[nH+]2)cc1
InChIInChI=1S/C16H13NO/c1-18-14-9-6-13(7-10-14)16-11-8-12-4-2-3-5-15(12)17-16/h2-11H,1H3/p+1
InChIKeyNXYDIDCWFYLWKZ-UHFFFAOYSA-O
XLogP3.33
TPSA23.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-2-(4-methoxyphenyl)quinazolin-1-ium-4-one
CID 78577553
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
2,3-bis(4-methoxyphenyl)inden-1-one
CID 10991496
2-methoxy-6-phenylnaphthalene
CID 11253308
1-(4-methoxyphenyl)phenazin-10-ium
CID 23104923
anisole;1,1'-biphenyl;naphthalene
CID 161250692
(4-methoxyphenyl)-naphthalen-2-yldiazene
CID 572318

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)quinolin-1-ium?
The IUPAC name of 2-(4-methoxyphenyl)quinolin-1-ium (CID 102579036) is 2-(4-methoxyphenyl)quinolin-1-ium.
What is the SMILES notation for 2-(4-methoxyphenyl)quinolin-1-ium?
The canonical SMILES for 2-(4-methoxyphenyl)quinolin-1-ium is COc1ccc(-c2ccc3ccccc3[nH+]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)quinolin-1-ium?
The InChIKey is NXYDIDCWFYLWKZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H13NO/c1-18-14-9-6-13(7-10-14)16-11-8-12-4-2-3-5-15(12)17-16/h2-11H,1H3/p+1.
What are the key properties of 2-(4-methoxyphenyl)quinolin-1-ium?
2-(4-methoxyphenyl)quinolin-1-ium has a molecular weight of 236.29 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)quinolin-1-ium is sourced from PubChem (CID 102579036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).