ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate

C13H15N3O2 — CID 54860612

IUPACethyl 2-[(5-aminoquinolin-8-yl)amino]acetate
SMILESCCOC(=O)CNc1ccc(N)c2cccnc12
InChIInChI=1S/C13H15N3O2/c1-2-18-12(17)8-16-11-6-5-10(14)9-4-3-7-15-13(9)11/h3-7,16H,2,8,14H2,1H3
InChIKeyMKNLFPLVFPWTLJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.79
Rot. Bonds4

About ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate

ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate (PubChem CID 54860612) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-aminoquinolin-8-yl)amino]acetate
PubChem CID54860612
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Nameethyl 2-[(5-aminoquinolin-8-yl)amino]acetate
SMILESCCOC(=O)CNc1ccc(N)c2cccnc12
InChIInChI=1S/C13H15N3O2/c1-2-18-12(17)8-16-11-6-5-10(14)9-4-3-7-15-13(9)11/h3-7,16H,2,8,14H2,1H3
InChIKeyMKNLFPLVFPWTLJ-UHFFFAOYSA-N
XLogP1.79
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
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 ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-N-(2-ethoxyethyl)quinoline-5,8-diamine
CID 43591091
1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 65103110
butyl 2-[(5-chloroquinolin-8-yl)amino]acetate
CID 116783881
2-[(5-aminoquinolin-8-yl)amino]ethanol
CID 43450143
ethyl 3-[(5-amino-7-fluoroquinolin-8-yl)amino]propanoate
CID 83164635
4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol
CID 106243201
5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine
CID 114940553
methyl 3-[(5-aminoquinolin-8-yl)sulfonylamino]propanoate
CID 104850376
8-N-(2-phenylpropyl)quinoline-5,8-diamine
CID 104591216
2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol
CID 43498854
3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide
CID 106275119
8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine
CID 55173328

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate?
The IUPAC name of ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate (CID 54860612) is ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate is CCOC(=O)CNc1ccc(N)c2cccnc12.
What is the InChIKey of ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate?
The InChIKey is MKNLFPLVFPWTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-18-12(17)8-16-11-6-5-10(14)9-4-3-7-15-13(9)11/h3-7,16H,2,8,14H2,1H3.
What are the key properties of ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate?
ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate has a molecular weight of 245.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate is sourced from PubChem (CID 54860612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).