3-quinolin-3-yloxypropanamide

C12H12N2O2 — CID 107388241

IUPAC3-quinolin-3-yloxypropanamide
SMILESNC(=O)CCOc1cnc2ccccc2c1
InChIInChI=1S/C12H12N2O2/c13-12(15)5-6-16-10-7-9-3-1-2-4-11(9)14-8-10/h1-4,7-8H,5-6H2,(H2,13,15)
InChIKeySJUIYRKTHLOKKR-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.49
Rot. Bonds4

About 3-quinolin-3-yloxypropanamide

3-quinolin-3-yloxypropanamide (PubChem CID 107388241) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-quinolin-3-yloxypropanamide.

Molecular Properties

Compound Name3-quinolin-3-yloxypropanamide
PubChem CID107388241
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-quinolin-3-yloxypropanamide
SMILESNC(=O)CCOc1cnc2ccccc2c1
InChIInChI=1S/C12H12N2O2/c13-12(15)5-6-16-10-7-9-3-1-2-4-11(9)14-8-10/h1-4,7-8H,5-6H2,(H2,13,15)
InChIKeySJUIYRKTHLOKKR-UHFFFAOYSA-N
XLogP1.49
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-Acetoxyquinoline
CID 75777
8-Methoxyquinoline
CID 70310
8-Ethoxyquinoline
CID 73781
4-Methoxyquinoline
CID 521938
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
8-Methoxyquinolin-4-amine
CID 16767485
2-(Quinolin-8-yloxy)acetamide
CID 753651
8-Quinolyl N-(2-methoxyphenyl)carbamate
CID 3329723
N-[2-(quinolin-8-yloxy)ethyl]acetamide
CID 3104609
3-[(2S)-2-amino-3-phenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 20744808
N-(4-methylphenyl)-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide
CID 2451027
4-(4-Phenoxybutoxy)quinoline
CID 42631043

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-3-yloxypropanamide?
The IUPAC name of 3-quinolin-3-yloxypropanamide (CID 107388241) is 3-quinolin-3-yloxypropanamide.
What is the SMILES notation for 3-quinolin-3-yloxypropanamide?
The canonical SMILES for 3-quinolin-3-yloxypropanamide is NC(=O)CCOc1cnc2ccccc2c1.
What is the InChIKey of 3-quinolin-3-yloxypropanamide?
The InChIKey is SJUIYRKTHLOKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-12(15)5-6-16-10-7-9-3-1-2-4-11(9)14-8-10/h1-4,7-8H,5-6H2,(H2,13,15).
What are the key properties of 3-quinolin-3-yloxypropanamide?
3-quinolin-3-yloxypropanamide has a molecular weight of 216.24 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-3-yloxypropanamide is sourced from PubChem (CID 107388241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).