2-(6-aminoquinolin-2-yl)-N-(2-hydroxyethyl)acetamide

C13H15N3O2 — CID 82547456

IUPAC2-(6-aminoquinolin-2-yl)-N-(2-hydroxyethyl)acetamide
SMILESNc1ccc2nc(CC(=O)NCCO)ccc2c1
InChIInChI=1S/C13H15N3O2/c14-10-2-4-12-9(7-10)1-3-11(16-12)8-13(18)15-5-6-17/h1-4,7,17H,5-6,8,14H2,(H,15,18)
InChIKeySGZWQLJCOQCWRU-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.47
Rot. Bonds4

About 2-(6-aminoquinolin-2-yl)-N-(2-hydroxyethyl)acetamide

2-(6-aminoquinolin-2-yl)-N-(2-hydroxyethyl)acetamide (PubChem CID 82547456) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(6-aminoquinolin-2-yl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(6-aminoquinolin-2-yl)-N-(2-hydroxyethyl)acetamide
PubChem CID82547456
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(6-aminoquinolin-2-yl)-N-(2-hydroxyethyl)acetamide
SMILESNc1ccc2nc(CC(=O)NCCO)ccc2c1
InChIInChI=1S/C13H15N3O2/c14-10-2-4-12-9(7-10)1-3-11(16-12)8-13(18)15-5-6-17/h1-4,7,17H,5-6,8,14H2,(H,15,18)
InChIKeySGZWQLJCOQCWRU-UHFFFAOYSA-N
XLogP0.47
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6-aminoquinolin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 82547092
2-(6-aminoquinolin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 82547358
2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid
CID 82547405
N-(2-hydroxyethyl)-2-(6-methylquinolin-2-yl)acetamide
CID 110490351
2-(6-aminoquinolin-2-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 82547311
2-(6-aminoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)acetamide
CID 82546933
2-(6-aminoquinolin-2-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 82547221
2-(6-aminoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 110451369
2-(6-aminoquinolin-2-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide
CID 110451337
N-(2-aminoethyl)-2-quinolin-2-ylacetamide
CID 110464134
N-(2-aminoethyl)-2-(7-chloroquinolin-2-yl)acetamide
CID 110490287
2-[(6-aminoquinolin-2-yl)amino]ethanol
CID 43450889

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminoquinolin-2-yl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(6-aminoquinolin-2-yl)-N-(2-hydroxyethyl)acetamide (CID 82547456) is 2-(6-aminoquinolin-2-yl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(6-aminoquinolin-2-yl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(6-aminoquinolin-2-yl)-N-(2-hydroxyethyl)acetamide is Nc1ccc2nc(CC(=O)NCCO)ccc2c1.
What is the InChIKey of 2-(6-aminoquinolin-2-yl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is SGZWQLJCOQCWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-10-2-4-12-9(7-10)1-3-11(16-12)8-13(18)15-5-6-17/h1-4,7,17H,5-6,8,14H2,(H,15,18).
What are the key properties of 2-(6-aminoquinolin-2-yl)-N-(2-hydroxyethyl)acetamide?
2-(6-aminoquinolin-2-yl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 245.28 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminoquinolin-2-yl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 82547456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).