ethyl 2-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoate

C14H18N2O3 — CID 162624341

IUPACethyl 2-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C14H18N2O3/c1-2-19-14(18)11(15)7-9-3-4-10-5-6-13(17)16-12(10)8-9/h3-4,8,11H,2,5-7,15H2,1H3,(H,16,17)
InChIKeyIXBBMPZEUNYRLT-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.00
Rot. Bonds4

About ethyl 2-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoate

ethyl 2-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoate (PubChem CID 162624341) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl 2-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoate
PubChem CID162624341
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nameethyl 2-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C14H18N2O3/c1-2-19-14(18)11(15)7-9-3-4-10-5-6-13(17)16-12(10)8-9/h3-4,8,11H,2,5-7,15H2,1H3,(H,16,17)
InChIKeyIXBBMPZEUNYRLT-UHFFFAOYSA-N
XLogP1.00
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoate (CID 162624341) is ethyl 2-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoate is CCOC(=O)C(N)Cc1ccc2c(c1)NC(=O)CC2.
What is the InChIKey of ethyl 2-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoate?
The InChIKey is IXBBMPZEUNYRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-19-14(18)11(15)7-9-3-4-10-5-6-13(17)16-12(10)8-9/h3-4,8,11H,2,5-7,15H2,1H3,(H,16,17).
What are the key properties of ethyl 2-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoate?
ethyl 2-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoate has a molecular weight of 262.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoate is sourced from PubChem (CID 162624341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).