ethyl 2-(4-hydroxy-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)acetate

C16H21NO4 — CID 91505514

IUPACethyl 2-(4-hydroxy-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)acetate
SMILESCCCN1C(=O)C(CC(=O)OCC)C(O)c2ccccc21
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/h5-8,12,15,19H,3-4,9-10H2,1-2H3
InChIKeyDBNKAHAHFSKOMY-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.05
Rot. Bonds5

About ethyl 2-(4-hydroxy-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)acetate

ethyl 2-(4-hydroxy-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)acetate (PubChem CID 91505514) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 2-(4-hydroxy-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxy-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)acetate
PubChem CID91505514
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Nameethyl 2-(4-hydroxy-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)acetate
SMILESCCCN1C(=O)C(CC(=O)OCC)C(O)c2ccccc21
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/h5-8,12,15,19H,3-4,9-10H2,1-2H3
InChIKeyDBNKAHAHFSKOMY-UHFFFAOYSA-N
XLogP2.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-1-propyl-3H-indol-2-one
CID 90417958
ethyl 2-(1-ethyl-4-hydroxy-5-methyl-2-oxo-3,4-dihydroquinolin-3-yl)acetate
CID 91143750
ethyl 2-[(5-bromo-2-oxo-1-propyl-3H-indol-3-yl)sulfanyl]acetate
CID 102470613
ethyl 2-[(5-fluoro-2-oxo-1-propyl-3H-indol-3-yl)sulfanyl]acetate
CID 102284779
ethyl 2-(2-hydroxy-1-methyl-3H-indazol-3-yl)acetate
CID 175038908
(2-oxo-1-propyl-3H-indol-3-yl)urea
CID 150324372
ethyl 2-[4-oxo-5-(2-phenylethyl)-2,3-dihydro-1,5-benzothiazepin-3-yl]acetate
CID 139775461
ethyl (2S,3R)-1-acetyl-3-(2-ethoxy-2-oxoethyl)-2,3-dihydroindole-2-carboxylate
CID 10781881
(2S,3R)-1-acetyl-3-(2-ethoxy-2-oxoethyl)-2,3-dihydroindole-2-carboxylic acid
CID 101015135
3-(ethylamino)-1-propyl-3H-indol-2-one
CID 82238885
ethyl 3-(7-azabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)propanoate
CID 142874027
diethyl 5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1,4-dicarboxylate
CID 14835578

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxy-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)acetate?
The IUPAC name of ethyl 2-(4-hydroxy-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)acetate (CID 91505514) is ethyl 2-(4-hydroxy-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(4-hydroxy-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)acetate?
The canonical SMILES for ethyl 2-(4-hydroxy-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)acetate is CCCN1C(=O)C(CC(=O)OCC)C(O)c2ccccc21.
What is the InChIKey of ethyl 2-(4-hydroxy-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)acetate?
The InChIKey is DBNKAHAHFSKOMY-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/h5-8,12,15,19H,3-4,9-10H2,1-2H3.
What are the key properties of ethyl 2-(4-hydroxy-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)acetate?
ethyl 2-(4-hydroxy-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)acetate has a molecular weight of 291.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxy-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)acetate is sourced from PubChem (CID 91505514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).