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

C15H19NO4 — CID 82778791

IUPACethyl 3-hydroxy-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoate
SMILESCCOC(=O)CC(O)CN1C(=O)CCc2ccccc21
InChIInChI=1S/C15H19NO4/c1-2-20-15(19)9-12(17)10-16-13-6-4-3-5-11(13)7-8-14(16)18/h3-6,12,17H,2,7-10H2,1H3
InChIKeyNJAMBBLSJCWLIC-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.28
Rot. Bonds5

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

ethyl 3-hydroxy-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoate (PubChem CID 82778791) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoate
PubChem CID82778791
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl 3-hydroxy-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoate
SMILESCCOC(=O)CC(O)CN1C(=O)CCc2ccccc21
InChIInChI=1S/C15H19NO4/c1-2-20-15(19)9-12(17)10-16-13-6-4-3-5-11(13)7-8-14(16)18/h3-6,12,17H,2,7-10H2,1H3
InChIKeyNJAMBBLSJCWLIC-UHFFFAOYSA-N
XLogP1.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
CID 103935304
1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-2-one
CID 115475527
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one
CID 16792075
ethyl 3-hydroxy-4-(3-methyl-2-oxobenzimidazol-1-yl)butanoate
CID 82776970
1-[3-(ethylamino)-2-hydroxypropyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 43343208
2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
CID 64583291
ethyl 3-hydroxy-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate
CID 82774900
1-hexyl-3,4-dihydroquinolin-2-one
CID 91805726
1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 103934798
1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one
CID 64865861

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoate?
The IUPAC name of ethyl 3-hydroxy-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoate (CID 82778791) is ethyl 3-hydroxy-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoate is CCOC(=O)CC(O)CN1C(=O)CCc2ccccc21.
What is the InChIKey of ethyl 3-hydroxy-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoate?
The InChIKey is NJAMBBLSJCWLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-20-15(19)9-12(17)10-16-13-6-4-3-5-11(13)7-8-14(16)18/h3-6,12,17H,2,7-10H2,1H3.
What are the key properties of ethyl 3-hydroxy-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoate?
ethyl 3-hydroxy-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoate has a molecular weight of 277.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoate is sourced from PubChem (CID 82778791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).