2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

C20H21NO5 — CID 17483624

IUPAC2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESCCOc1ccc(OCCOC(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C20H21NO5/c1-2-24-16-5-7-17(8-6-16)25-11-12-26-20(23)15-3-9-18-14(13-15)4-10-19(22)21-18/h3,5-9,13H,2,4,10-12H2,1H3,(H,21,22)
InChIKeyZCRXICRBJZZFIA-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.21
Rot. Bonds7

About 2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (PubChem CID 17483624) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
PubChem CID17483624
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESCCOc1ccc(OCCOC(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C20H21NO5/c1-2-24-16-5-7-17(8-6-16)25-11-12-26-20(23)15-3-9-18-14(13-15)4-10-19(22)21-18/h3,5-9,13H,2,4,10-12H2,1H3,(H,21,22)
InChIKeyZCRXICRBJZZFIA-UHFFFAOYSA-N
XLogP3.21
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate 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

2-(3-methylphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 46646110
4-ethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 27652443
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-ethoxy-4-methoxybenzoate
CID 9484719
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl 2-oxo-1H-pyridine-3-carboxylate
CID 56824771
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 31641805
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
CID 78891688
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-ethoxybenzenesulfonate
CID 31112479
(4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101048
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate
CID 51329778
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101092

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The IUPAC name of 2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (CID 17483624) is 2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.
What is the SMILES notation for 2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The canonical SMILES for 2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is CCOc1ccc(OCCOC(=O)c2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The InChIKey is ZCRXICRBJZZFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-2-24-16-5-7-17(8-6-16)25-11-12-26-20(23)15-3-9-18-14(13-15)4-10-19(22)21-18/h3,5-9,13H,2,4,10-12H2,1H3,(H,21,22).
What are the key properties of 2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is sourced from PubChem (CID 17483624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).