1-(quinolin-8-ylmethyl)pyridin-1-ium-3-carboxamide chloride

C16H14ClN3O — CID 24587667

IUPAC1-(quinolin-8-ylmethyl)pyridin-1-ium-3-carboxamide chloride
SMILESNC(=O)c1ccc[n+](Cc2cccc3cccnc23)c1.[Cl-]
InChIInChI=1S/C16H13N3O.ClH/c17-16(20)14-7-3-9-19(11-14)10-13-5-1-4-12-6-2-8-18-15(12)13;/h1-9,11H,10H2,(H-,17,20);1H
InChIKeyHPAZRJBIFASPDL-UHFFFAOYSA-N
MW299.76 g/mol
LogP-1.33
Rot. Bonds3

About 1-(quinolin-8-ylmethyl)pyridin-1-ium-3-carboxamide chloride

1-(quinolin-8-ylmethyl)pyridin-1-ium-3-carboxamide chloride (PubChem CID 24587667) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-(quinolin-8-ylmethyl)pyridin-1-ium-3-carboxamide chloride.

Molecular Properties

Compound Name1-(quinolin-8-ylmethyl)pyridin-1-ium-3-carboxamide chloride
PubChem CID24587667
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name1-(quinolin-8-ylmethyl)pyridin-1-ium-3-carboxamide chloride
SMILESNC(=O)c1ccc[n+](Cc2cccc3cccnc23)c1.[Cl-]
InChIInChI=1S/C16H13N3O.ClH/c17-16(20)14-7-3-9-19(11-14)10-13-5-1-4-12-6-2-8-18-15(12)13;/h1-9,11H,10H2,(H-,17,20);1H
InChIKeyHPAZRJBIFASPDL-UHFFFAOYSA-N
XLogP-1.33
TPSA59.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(quinolin-8-ylmethyl)pyridin-1-ium-3-carboxamide chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-quinolin-8-yloxyethoxymethyl)pyridin-1-ium-3-carboxamide
CID 52918003
2-[(3-carbamoylpyridin-1-ium-1-yl)methyl]benzoic acid
CID 67527192
1-[[6-[5-[(3-carbamoylpyridin-1-ium-1-yl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]pyridin-1-ium-3-carboxamide
CID 10723544
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-carboxamide bromide
CID 71354489
1-[(3-chlorophenyl)methyl]pyridin-1-ium-3-carboxamide chloride
CID 47105317
quinolin-8-ylmethyl 3-hydroxybenzoate
CID 17392700
aluminum quinolin-8-ylmethanol
CID 23124809
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridin-1-ium-3-carboxamide chloride
CID 18205089
1-quinolin-8-ylpropan-2-amine
CID 63968867
N'-hydroxy-2-quinolin-8-ylethanimidamide
CID 53412326
ethyl 2-quinolin-8-ylacetate
CID 52562898

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-8-ylmethyl)pyridin-1-ium-3-carboxamide chloride?
The IUPAC name of 1-(quinolin-8-ylmethyl)pyridin-1-ium-3-carboxamide chloride (CID 24587667) is 1-(quinolin-8-ylmethyl)pyridin-1-ium-3-carboxamide chloride.
What is the SMILES notation for 1-(quinolin-8-ylmethyl)pyridin-1-ium-3-carboxamide chloride?
The canonical SMILES for 1-(quinolin-8-ylmethyl)pyridin-1-ium-3-carboxamide chloride is NC(=O)c1ccc[n+](Cc2cccc3cccnc23)c1.[Cl-].
What is the InChIKey of 1-(quinolin-8-ylmethyl)pyridin-1-ium-3-carboxamide chloride?
The InChIKey is HPAZRJBIFASPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O.ClH/c17-16(20)14-7-3-9-19(11-14)10-13-5-1-4-12-6-2-8-18-15(12)13;/h1-9,11H,10H2,(H-,17,20);1H.
What are the key properties of 1-(quinolin-8-ylmethyl)pyridin-1-ium-3-carboxamide chloride?
1-(quinolin-8-ylmethyl)pyridin-1-ium-3-carboxamide chloride has a molecular weight of 299.76 g/mol, XLogP of -1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-8-ylmethyl)pyridin-1-ium-3-carboxamide chloride is sourced from PubChem (CID 24587667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).