ethyl 3-(5-nitroquinolin-8-yl)oxypropanoate

C14H14N2O5 — CID 60865673

IUPACethyl 3-(5-nitroquinolin-8-yl)oxypropanoate
SMILESCCOC(=O)CCOc1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C14H14N2O5/c1-2-20-13(17)7-9-21-12-6-5-11(16(18)19)10-4-3-8-15-14(10)12/h3-6,8H,2,7,9H2,1H3
InChIKeyVNBJCEZHQIFUTO-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.47
Rot. Bonds6

About ethyl 3-(5-nitroquinolin-8-yl)oxypropanoate

ethyl 3-(5-nitroquinolin-8-yl)oxypropanoate (PubChem CID 60865673) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is ethyl 3-(5-nitroquinolin-8-yl)oxypropanoate.

Molecular Properties

Compound Nameethyl 3-(5-nitroquinolin-8-yl)oxypropanoate
PubChem CID60865673
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Nameethyl 3-(5-nitroquinolin-8-yl)oxypropanoate
SMILESCCOC(=O)CCOc1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C14H14N2O5/c1-2-20-13(17)7-9-21-12-6-5-11(16(18)19)10-4-3-8-15-14(10)12/h3-6,8H,2,7,9H2,1H3
InChIKeyVNBJCEZHQIFUTO-UHFFFAOYSA-N
XLogP2.47
TPSA91.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 3-(5-nitroquinolin-8-yl)oxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-O-methyl 6-O-[(5-nitroquinolin-8-yl)oxymethyl] hexanedioate
CID 149115733
8-(2-chloroethoxy)-5-nitroquinoline
CID 60863321
N-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine
CID 60863686
3-(8-nitroquinolin-5-yl)oxypropanehydrazide
CID 116525701
(5-nitroquinolin-8-yl) N,N-diethylcarbamate
CID 175460748
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
N'-hydroxy-2-(5-nitroquinolin-8-yl)oxyethanimidamide
CID 71320044
(5-nitroquinolin-8-yl) 2-methylprop-2-enoate
CID 19748562
2-[methyl-(5-nitroquinolin-8-yl)oxycarbonylamino]acetic acid
CID 146455566
N,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23738451
4-[3-(5-nitroquinolin-8-yl)propoxy]-4-oxobutanoic acid
CID 67874778
tris[(5-nitroquinolin-8-yl)oxymethyl] phosphate
CID 166679929

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-nitroquinolin-8-yl)oxypropanoate?
The IUPAC name of ethyl 3-(5-nitroquinolin-8-yl)oxypropanoate (CID 60865673) is ethyl 3-(5-nitroquinolin-8-yl)oxypropanoate.
What is the SMILES notation for ethyl 3-(5-nitroquinolin-8-yl)oxypropanoate?
The canonical SMILES for ethyl 3-(5-nitroquinolin-8-yl)oxypropanoate is CCOC(=O)CCOc1ccc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of ethyl 3-(5-nitroquinolin-8-yl)oxypropanoate?
The InChIKey is VNBJCEZHQIFUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-2-20-13(17)7-9-21-12-6-5-11(16(18)19)10-4-3-8-15-14(10)12/h3-6,8H,2,7,9H2,1H3.
What are the key properties of ethyl 3-(5-nitroquinolin-8-yl)oxypropanoate?
ethyl 3-(5-nitroquinolin-8-yl)oxypropanoate has a molecular weight of 290.28 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-nitroquinolin-8-yl)oxypropanoate is sourced from PubChem (CID 60865673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).