N-(1-propylquinolin-1-ium-5-yl)acetamide

C14H17N2O+ — CID 155486730

IUPACN-(1-propylquinolin-1-ium-5-yl)acetamide
SMILESCCC[n+]1cccc2c(NC(C)=O)cccc21
InChIInChI=1S/C14H16N2O/c1-3-9-16-10-5-6-12-13(15-11(2)17)7-4-8-14(12)16/h4-8,10H,3,9H2,1-2H3/p+1
InChIKeyFDTPTILCJMKOJP-UHFFFAOYSA-O
MW229.30 g/mol
LogP2.50
Rot. Bonds3

About N-(1-propylquinolin-1-ium-5-yl)acetamide

N-(1-propylquinolin-1-ium-5-yl)acetamide (PubChem CID 155486730) has the molecular formula C14H17N2O+ and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(1-propylquinolin-1-ium-5-yl)acetamide.

Molecular Properties

Compound NameN-(1-propylquinolin-1-ium-5-yl)acetamide
PubChem CID155486730
Molecular FormulaC14H17N2O+
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC NameN-(1-propylquinolin-1-ium-5-yl)acetamide
SMILESCCC[n+]1cccc2c(NC(C)=O)cccc21
InChIInChI=1S/C14H16N2O/c1-3-9-16-10-5-6-12-13(15-11(2)17)7-4-8-14(12)16/h4-8,10H,3,9H2,1-2H3/p+1
InChIKeyFDTPTILCJMKOJP-UHFFFAOYSA-O
XLogP2.50
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-(1-propylquinolin-1-ium-5-yl)acetamide?
The IUPAC name of N-(1-propylquinolin-1-ium-5-yl)acetamide (CID 155486730) is N-(1-propylquinolin-1-ium-5-yl)acetamide.
What is the SMILES notation for N-(1-propylquinolin-1-ium-5-yl)acetamide?
The canonical SMILES for N-(1-propylquinolin-1-ium-5-yl)acetamide is CCC[n+]1cccc2c(NC(C)=O)cccc21.
What is the InChIKey of N-(1-propylquinolin-1-ium-5-yl)acetamide?
The InChIKey is FDTPTILCJMKOJP-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H16N2O/c1-3-9-16-10-5-6-12-13(15-11(2)17)7-4-8-14(12)16/h4-8,10H,3,9H2,1-2H3/p+1.
What are the key properties of N-(1-propylquinolin-1-ium-5-yl)acetamide?
N-(1-propylquinolin-1-ium-5-yl)acetamide has a molecular weight of 229.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylquinolin-1-ium-5-yl)acetamide is sourced from PubChem (CID 155486730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).