ethyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate

C14H17NO4 — CID 81107603

IUPACethyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate
SMILESCCOC(=O)CCn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C14H17NO4/c1-2-19-14(18)8-9-15-11-4-3-5-12(16)10(11)6-7-13(15)17/h6-7H,2-5,8-9H2,1H3
InChIKeySRIBRTBEVPFEBS-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.32
Rot. Bonds4

About ethyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate

ethyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate (PubChem CID 81107603) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is ethyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate
PubChem CID81107603
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Nameethyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate
SMILESCCOC(=O)CCn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C14H17NO4/c1-2-19-14(18)8-9-15-11-4-3-5-12(16)10(11)6-7-13(15)17/h6-7H,2-5,8-9H2,1H3
InChIKeySRIBRTBEVPFEBS-UHFFFAOYSA-N
XLogP1.32
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate?
The IUPAC name of ethyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate (CID 81107603) is ethyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate is CCOC(=O)CCn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of ethyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate?
The InChIKey is SRIBRTBEVPFEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-2-19-14(18)8-9-15-11-4-3-5-12(16)10(11)6-7-13(15)17/h6-7H,2-5,8-9H2,1H3.
What are the key properties of ethyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate?
ethyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate has a molecular weight of 263.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate is sourced from PubChem (CID 81107603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).