1-(2-quinolin-8-yloxyethoxymethyl)pyridin-1-ium-3-carboxamide

C18H18N3O3+ — CID 52918003

IUPAC1-(2-quinolin-8-yloxyethoxymethyl)pyridin-1-ium-3-carboxamide
SMILESNC(=O)c1ccc[n+](COCCOc2cccc3cccnc23)c1
InChIInChI=1S/C18H17N3O3/c19-18(22)15-6-3-9-21(12-15)13-23-10-11-24-16-7-1-4-14-5-2-8-20-17(14)16/h1-9,12H,10-11,13H2,(H-,19,22)/p+1
InChIKeyMZTLIQOXNUOBJQ-UHFFFAOYSA-O
MW324.36 g/mol
LogP1.67
Rot. Bonds7

About 1-(2-quinolin-8-yloxyethoxymethyl)pyridin-1-ium-3-carboxamide

1-(2-quinolin-8-yloxyethoxymethyl)pyridin-1-ium-3-carboxamide (PubChem CID 52918003) has the molecular formula C18H18N3O3+ and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-(2-quinolin-8-yloxyethoxymethyl)pyridin-1-ium-3-carboxamide.

Molecular Properties

Compound Name1-(2-quinolin-8-yloxyethoxymethyl)pyridin-1-ium-3-carboxamide
PubChem CID52918003
Molecular FormulaC18H18N3O3+
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name1-(2-quinolin-8-yloxyethoxymethyl)pyridin-1-ium-3-carboxamide
SMILESNC(=O)c1ccc[n+](COCCOc2cccc3cccnc23)c1
InChIInChI=1S/C18H17N3O3/c19-18(22)15-6-3-9-21(12-15)13-23-10-11-24-16-7-1-4-14-5-2-8-20-17(14)16/h1-9,12H,10-11,13H2,(H-,19,22)/p+1
InChIKeyMZTLIQOXNUOBJQ-UHFFFAOYSA-O
XLogP1.67
TPSA78.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(quinolin-8-ylmethyl)pyridin-1-ium-3-carboxamide chloride
CID 24587667
1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone
CID 2993304
2-quinolin-8-yloxyethanamine
CID 17174906
2-ethoxyethyl 2-quinolin-8-yloxyacetate
CID 71408852
8-[2-(2,6-dichlorophenoxy)ethoxy]quinoline
CID 2283916
8-[2-(4-bromophenoxy)ethoxy]quinoline
CID 2289161
1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone
CID 43226497
3-amino-4-quinolin-8-yloxybenzamide
CID 43448569
2-quinolin-8-yloxyethylhydrazine
CID 82126133
2-quinolin-8-yloxyacetate
CID 6950984
2-methoxyethyl 2-quinolin-8-yloxyacetate
CID 71408859
2-chloroethyl 2-quinolin-8-yloxyacetate
CID 71408832

Frequently Asked Questions

What is the IUPAC name of 1-(2-quinolin-8-yloxyethoxymethyl)pyridin-1-ium-3-carboxamide?
The IUPAC name of 1-(2-quinolin-8-yloxyethoxymethyl)pyridin-1-ium-3-carboxamide (CID 52918003) is 1-(2-quinolin-8-yloxyethoxymethyl)pyridin-1-ium-3-carboxamide.
What is the SMILES notation for 1-(2-quinolin-8-yloxyethoxymethyl)pyridin-1-ium-3-carboxamide?
The canonical SMILES for 1-(2-quinolin-8-yloxyethoxymethyl)pyridin-1-ium-3-carboxamide is NC(=O)c1ccc[n+](COCCOc2cccc3cccnc23)c1.
What is the InChIKey of 1-(2-quinolin-8-yloxyethoxymethyl)pyridin-1-ium-3-carboxamide?
The InChIKey is MZTLIQOXNUOBJQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H17N3O3/c19-18(22)15-6-3-9-21(12-15)13-23-10-11-24-16-7-1-4-14-5-2-8-20-17(14)16/h1-9,12H,10-11,13H2,(H-,19,22)/p+1.
What are the key properties of 1-(2-quinolin-8-yloxyethoxymethyl)pyridin-1-ium-3-carboxamide?
1-(2-quinolin-8-yloxyethoxymethyl)pyridin-1-ium-3-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-quinolin-8-yloxyethoxymethyl)pyridin-1-ium-3-carboxamide is sourced from PubChem (CID 52918003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).