tert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate

C16H20FNO3 — CID 116662624

IUPACtert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate
SMILESCC(C)(C)OC(=O)CCN1C(=O)CCc2ccc(F)cc21
InChIInChI=1S/C16H20FNO3/c1-16(2,3)21-15(20)8-9-18-13-10-12(17)6-4-11(13)5-7-14(18)19/h4,6,10H,5,7-9H2,1-3H3
InChIKeyZOQKPGYLYCEPSZ-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.84
Rot. Bonds3

About tert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate

tert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate (PubChem CID 116662624) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is tert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate
PubChem CID116662624
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Nametert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate
SMILESCC(C)(C)OC(=O)CCN1C(=O)CCc2ccc(F)cc21
InChIInChI=1S/C16H20FNO3/c1-16(2,3)21-15(20)8-9-18-13-10-12(17)6-4-11(13)5-7-14(18)19/h4,6,10H,5,7-9H2,1-3H3
InChIKeyZOQKPGYLYCEPSZ-UHFFFAOYSA-N
XLogP2.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate 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

7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 113399039
4-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide
CID 43243934
3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal
CID 63041512
7-fluoro-1-[2-(propylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 61387630
7-fluoro-1-prop-2-ynyl-3,4-dihydroquinolin-2-one
CID 61344681
tert-butyl 3-(7-bromo-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanoate
CID 90799030
4-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)butanenitrile
CID 43243930
tert-butyl (2R)-4-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]-2-methylpiperazine-1-carboxylate
CID 91650326
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
7-fluoro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one
CID 61387656
tert-butyl 3-(3-methyl-2-oxo-4H-quinazolin-1-yl)propanoate
CID 116662774
1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one
CID 62017896

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate?
The IUPAC name of tert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate (CID 116662624) is tert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate.
What is the SMILES notation for tert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate?
The canonical SMILES for tert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate is CC(C)(C)OC(=O)CCN1C(=O)CCc2ccc(F)cc21.
What is the InChIKey of tert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate?
The InChIKey is ZOQKPGYLYCEPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-16(2,3)21-15(20)8-9-18-13-10-12(17)6-4-11(13)5-7-14(18)19/h4,6,10H,5,7-9H2,1-3H3.
What are the key properties of tert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate?
tert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate has a molecular weight of 293.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate is sourced from PubChem (CID 116662624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).