ethyl 3-[6-(3-amino-3-oxopropyl)quinolin-2-yl]propanoate

C17H20N2O3 — CID 150771458

IUPACethyl 3-[6-(3-amino-3-oxopropyl)quinolin-2-yl]propanoate
SMILESCCOC(=O)CCc1ccc2cc(CCC(N)=O)ccc2n1
InChIInChI=1S/C17H20N2O3/c1-2-22-17(21)10-7-14-6-5-13-11-12(4-9-16(18)20)3-8-15(13)19-14/h3,5-6,8,11H,2,4,7,9-10H2,1H3,(H2,18,20)
InChIKeyJZYIDGSGMKXCLZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.15
Rot. Bonds7

About ethyl 3-[6-(3-amino-3-oxopropyl)quinolin-2-yl]propanoate

ethyl 3-[6-(3-amino-3-oxopropyl)quinolin-2-yl]propanoate (PubChem CID 150771458) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl 3-[6-(3-amino-3-oxopropyl)quinolin-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[6-(3-amino-3-oxopropyl)quinolin-2-yl]propanoate
PubChem CID150771458
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Nameethyl 3-[6-(3-amino-3-oxopropyl)quinolin-2-yl]propanoate
SMILESCCOC(=O)CCc1ccc2cc(CCC(N)=O)ccc2n1
InChIInChI=1S/C17H20N2O3/c1-2-22-17(21)10-7-14-6-5-13-11-12(4-9-16(18)20)3-8-15(13)19-14/h3,5-6,8,11H,2,4,7,9-10H2,1H3,(H2,18,20)
InChIKeyJZYIDGSGMKXCLZ-UHFFFAOYSA-N
XLogP2.15
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[6-(3-amino-3-oxopropyl)quinolin-2-yl]propanoate?
The IUPAC name of ethyl 3-[6-(3-amino-3-oxopropyl)quinolin-2-yl]propanoate (CID 150771458) is ethyl 3-[6-(3-amino-3-oxopropyl)quinolin-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[6-(3-amino-3-oxopropyl)quinolin-2-yl]propanoate?
The canonical SMILES for ethyl 3-[6-(3-amino-3-oxopropyl)quinolin-2-yl]propanoate is CCOC(=O)CCc1ccc2cc(CCC(N)=O)ccc2n1.
What is the InChIKey of ethyl 3-[6-(3-amino-3-oxopropyl)quinolin-2-yl]propanoate?
The InChIKey is JZYIDGSGMKXCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-22-17(21)10-7-14-6-5-13-11-12(4-9-16(18)20)3-8-15(13)19-14/h3,5-6,8,11H,2,4,7,9-10H2,1H3,(H2,18,20).
What are the key properties of ethyl 3-[6-(3-amino-3-oxopropyl)quinolin-2-yl]propanoate?
ethyl 3-[6-(3-amino-3-oxopropyl)quinolin-2-yl]propanoate has a molecular weight of 300.36 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[6-(3-amino-3-oxopropyl)quinolin-2-yl]propanoate is sourced from PubChem (CID 150771458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).