2-(8-aminoquinolin-2-yl)-N-(2-hydroxypropyl)acetamide

C14H17N3O2 — CID 82547391

IUPAC2-(8-aminoquinolin-2-yl)-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)Cc1ccc2cccc(N)c2n1
InChIInChI=1S/C14H17N3O2/c1-9(18)8-16-13(19)7-11-6-5-10-3-2-4-12(15)14(10)17-11/h2-6,9,18H,7-8,15H2,1H3,(H,16,19)
InChIKeyKMCYANUORIHEIO-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.86
Rot. Bonds4

About 2-(8-aminoquinolin-2-yl)-N-(2-hydroxypropyl)acetamide

2-(8-aminoquinolin-2-yl)-N-(2-hydroxypropyl)acetamide (PubChem CID 82547391) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(8-aminoquinolin-2-yl)-N-(2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(8-aminoquinolin-2-yl)-N-(2-hydroxypropyl)acetamide
PubChem CID82547391
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(8-aminoquinolin-2-yl)-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)Cc1ccc2cccc(N)c2n1
InChIInChI=1S/C14H17N3O2/c1-9(18)8-16-13(19)7-11-6-5-10-3-2-4-12(15)14(10)17-11/h2-6,9,18H,7-8,15H2,1H3,(H,16,19)
InChIKeyKMCYANUORIHEIO-UHFFFAOYSA-N
XLogP0.86
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8-aminoquinolin-2-yl)-N-(2-hydroxypropyl)acetamide?
The IUPAC name of 2-(8-aminoquinolin-2-yl)-N-(2-hydroxypropyl)acetamide (CID 82547391) is 2-(8-aminoquinolin-2-yl)-N-(2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(8-aminoquinolin-2-yl)-N-(2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(8-aminoquinolin-2-yl)-N-(2-hydroxypropyl)acetamide is CC(O)CNC(=O)Cc1ccc2cccc(N)c2n1.
What is the InChIKey of 2-(8-aminoquinolin-2-yl)-N-(2-hydroxypropyl)acetamide?
The InChIKey is KMCYANUORIHEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(18)8-16-13(19)7-11-6-5-10-3-2-4-12(15)14(10)17-11/h2-6,9,18H,7-8,15H2,1H3,(H,16,19).
What are the key properties of 2-(8-aminoquinolin-2-yl)-N-(2-hydroxypropyl)acetamide?
2-(8-aminoquinolin-2-yl)-N-(2-hydroxypropyl)acetamide has a molecular weight of 259.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-aminoquinolin-2-yl)-N-(2-hydroxypropyl)acetamide is sourced from PubChem (CID 82547391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).