ethyl 2-(2,4-dihydroxy-1-propyl-2H-quinolin-3-yl)acetate

C16H21NO4 — CID 22391024

IUPACethyl 2-(2,4-dihydroxy-1-propyl-2H-quinolin-3-yl)acetate
SMILESCCCN1c2ccccc2C(O)=C(CC(=O)OCC)C1O
InChIInChI=1S/C16H21NO4/c1-3-9-17-13-8-6-5-7-11(13)15(19)12(16(17)20)10-14(18)21-4-2/h5-8,16,19-20H,3-4,9-10H2,1-2H3
InChIKeyZLXZPSHJQWJFDB-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.46
Rot. Bonds5

About ethyl 2-(2,4-dihydroxy-1-propyl-2H-quinolin-3-yl)acetate

ethyl 2-(2,4-dihydroxy-1-propyl-2H-quinolin-3-yl)acetate (PubChem CID 22391024) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 2-(2,4-dihydroxy-1-propyl-2H-quinolin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4-dihydroxy-1-propyl-2H-quinolin-3-yl)acetate
PubChem CID22391024
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Nameethyl 2-(2,4-dihydroxy-1-propyl-2H-quinolin-3-yl)acetate
SMILESCCCN1c2ccccc2C(O)=C(CC(=O)OCC)C1O
InChIInChI=1S/C16H21NO4/c1-3-9-17-13-8-6-5-7-11(13)15(19)12(16(17)20)10-14(18)21-4-2/h5-8,16,19-20H,3-4,9-10H2,1-2H3
InChIKeyZLXZPSHJQWJFDB-UHFFFAOYSA-N
XLogP2.46
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(2,4-dihydroxy-1-propyl-2H-quinolin-3-yl)acetate 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

Ethyl 1-ethyl-1,2-dihydro-4-hydroxy-2-oxo-3-quinolinecarboxylate
CID 54680568
Ethyl 1-butyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 54676404
(4-Hydroxy-2-oxo-1,2-dihydro-quinolin-3-yl)-acetic acid butyl ester
CID 54685992
methyl 1-[(4-ethylphenyl)methyl]-5-hydroxy-2-oxo-3H-1-benzazepine-4-carboxylate
CID 168276221
methyl 5-hydroxy-1-[(4-methylphenyl)methyl]-2-oxo-3H-1-benzazepine-4-carboxylate
CID 168290403
Propyl (4-hydroxy-2-oxo-1,2-dihydro-3-quinolinyl)acetate
CID 54687731
(4-Hydroxy-2-oxo-1,2-dihydro-quinolin-3-yl)-acetic acid pentyl ester
CID 54692912
Ethyl 4-hydroxy-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydroquinoline-3-carboxylate
CID 54680570
Ethyl 4-hydroxy-1-octyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 54676300
Ethyl 4-hydroxy-2-oxo-1-pentyl-1,2-dihydroquinoline-3-carboxylate
CID 54677802
Cyclohexyl (4-hydroxy-2-oxo-1,2-dihydro-3-quinolinyl)acetate
CID 54684135
(4-Hydroxy-2-oxo-1,2-dihydro-quinolin-3-yl)-acetic acid isobutyl ester
CID 54685652

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dihydroxy-1-propyl-2H-quinolin-3-yl)acetate?
The IUPAC name of ethyl 2-(2,4-dihydroxy-1-propyl-2H-quinolin-3-yl)acetate (CID 22391024) is ethyl 2-(2,4-dihydroxy-1-propyl-2H-quinolin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2,4-dihydroxy-1-propyl-2H-quinolin-3-yl)acetate?
The canonical SMILES for ethyl 2-(2,4-dihydroxy-1-propyl-2H-quinolin-3-yl)acetate is CCCN1c2ccccc2C(O)=C(CC(=O)OCC)C1O.
What is the InChIKey of ethyl 2-(2,4-dihydroxy-1-propyl-2H-quinolin-3-yl)acetate?
The InChIKey is ZLXZPSHJQWJFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-9-17-13-8-6-5-7-11(13)15(19)12(16(17)20)10-14(18)21-4-2/h5-8,16,19-20H,3-4,9-10H2,1-2H3.
What are the key properties of ethyl 2-(2,4-dihydroxy-1-propyl-2H-quinolin-3-yl)acetate?
ethyl 2-(2,4-dihydroxy-1-propyl-2H-quinolin-3-yl)acetate has a molecular weight of 291.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dihydroxy-1-propyl-2H-quinolin-3-yl)acetate is sourced from PubChem (CID 22391024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).