N-(4-aminoquinolin-3-yl)-2-ethoxyacetamide

C13H15N3O2 — CID 122650155

IUPACN-(4-aminoquinolin-3-yl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1cnc2ccccc2c1N
InChIInChI=1S/C13H15N3O2/c1-2-18-8-12(17)16-11-7-15-10-6-4-3-5-9(10)13(11)14/h3-7H,2,8H2,1H3,(H2,14,15)(H,16,17)
InChIKeySHCJKIJJEXDXMZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.79
Rot. Bonds4

About N-(4-aminoquinolin-3-yl)-2-ethoxyacetamide

N-(4-aminoquinolin-3-yl)-2-ethoxyacetamide (PubChem CID 122650155) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(4-aminoquinolin-3-yl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(4-aminoquinolin-3-yl)-2-ethoxyacetamide
PubChem CID122650155
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(4-aminoquinolin-3-yl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1cnc2ccccc2c1N
InChIInChI=1S/C13H15N3O2/c1-2-18-8-12(17)16-11-7-15-10-6-4-3-5-9(10)13(11)14/h3-7H,2,8H2,1H3,(H2,14,15)(H,16,17)
InChIKeySHCJKIJJEXDXMZ-UHFFFAOYSA-N
XLogP1.79
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-chlorobutylamino)quinolin-3-yl]-2-ethoxyacetamide;hydrochloride
CID 68999918
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176
N-(2-amino-4-chlorophenyl)-2-ethoxyacetamide
CID 16791800
5-[[3-[(2-ethoxyacetyl)amino]-1,5-naphthyridin-4-yl]amino]pentyl acetate;hydrochloride
CID 69184819
2-ethoxy-N-[4-[(2-hydroxy-2-methylpropyl)amino]-6-phenylmethoxyquinolin-3-yl]acetamide
CID 67051091
N-(4-aminoquinolin-3-yl)formamide
CID 23043031
N-[4-[(2-hydroxy-2-methylpropyl)amino]quinolin-3-yl]-2-methoxyacetamide;hydrochloride
CID 67204879
2-ethoxy-N-isoquinolin-5-ylacetamide
CID 60719162
N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride
CID 119422200
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 43601366
N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide
CID 28776914
N-[2-(dimethylamino)-3-pyridinyl]-2-ethoxyacetamide
CID 60778535

Frequently Asked Questions

What is the IUPAC name of N-(4-aminoquinolin-3-yl)-2-ethoxyacetamide?
The IUPAC name of N-(4-aminoquinolin-3-yl)-2-ethoxyacetamide (CID 122650155) is N-(4-aminoquinolin-3-yl)-2-ethoxyacetamide.
What is the SMILES notation for N-(4-aminoquinolin-3-yl)-2-ethoxyacetamide?
The canonical SMILES for N-(4-aminoquinolin-3-yl)-2-ethoxyacetamide is CCOCC(=O)Nc1cnc2ccccc2c1N.
What is the InChIKey of N-(4-aminoquinolin-3-yl)-2-ethoxyacetamide?
The InChIKey is SHCJKIJJEXDXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-18-8-12(17)16-11-7-15-10-6-4-3-5-9(10)13(11)14/h3-7H,2,8H2,1H3,(H2,14,15)(H,16,17).
What are the key properties of N-(4-aminoquinolin-3-yl)-2-ethoxyacetamide?
N-(4-aminoquinolin-3-yl)-2-ethoxyacetamide has a molecular weight of 245.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminoquinolin-3-yl)-2-ethoxyacetamide is sourced from PubChem (CID 122650155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).