ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate

C13H18N2O2 — CID 60735402

IUPACethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate
SMILESCCOC(=O)CN1CCCc2cc(N)ccc21
InChIInChI=1S/C13H18N2O2/c1-2-17-13(16)9-15-7-3-4-10-8-11(14)5-6-12(10)15/h5-6,8H,2-4,7,9,14H2,1H3
InChIKeyZONYBPIYTGVFQG-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.58
Rot. Bonds3

About ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate

ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate (PubChem CID 60735402) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate
PubChem CID60735402
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nameethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate
SMILESCCOC(=O)CN1CCCc2cc(N)ccc21
InChIInChI=1S/C13H18N2O2/c1-2-17-13(16)9-15-7-3-4-10-8-11(14)5-6-12(10)15/h5-6,8H,2-4,7,9,14H2,1H3
InChIKeyZONYBPIYTGVFQG-UHFFFAOYSA-N
XLogP1.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 61489538
2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)acetamide
CID 43823754
2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylacetamide
CID 62266731
6-(6-amino-3,4-dihydro-2H-quinolin-1-yl)hexan-1-ol
CID 107704010
ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 62265682
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone
CID 107937337
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol
CID 107264180
1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine
CID 54957573
ethyl 2-(2-sulfanylidenepyrrolidin-1-yl)acetate
CID 71395056
1-(3-methylbut-3-enyl)-3,4-dihydro-2H-quinolin-6-amine
CID 114473358
methyl 2-(6-cyano-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 122149581
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103161498

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate?
The IUPAC name of ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate (CID 60735402) is ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate?
The canonical SMILES for ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate is CCOC(=O)CN1CCCc2cc(N)ccc21.
What is the InChIKey of ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate?
The InChIKey is ZONYBPIYTGVFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-17-13(16)9-15-7-3-4-10-8-11(14)5-6-12(10)15/h5-6,8H,2-4,7,9,14H2,1H3.
What are the key properties of ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate?
ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate has a molecular weight of 234.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate is sourced from PubChem (CID 60735402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).