3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal

C12H12FNO2 — CID 63041512

IUPAC3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal
SMILESO=CCCN1C(=O)CCc2ccc(F)cc21
InChIInChI=1S/C12H12FNO2/c13-10-4-2-9-3-5-12(16)14(6-1-7-15)11(9)8-10/h2,4,7-8H,1,3,5-6H2
InChIKeyUVYXLJGAIKLHEM-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.69
Rot. Bonds3

About 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal

3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal (PubChem CID 63041512) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal.

Molecular Properties

Compound Name3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal
PubChem CID63041512
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal
SMILESO=CCCN1C(=O)CCc2ccc(F)cc21
InChIInChI=1S/C12H12FNO2/c13-10-4-2-9-3-5-12(16)14(6-1-7-15)11(9)8-10/h2,4,7-8H,1,3,5-6H2
InChIKeyUVYXLJGAIKLHEM-UHFFFAOYSA-N
XLogP1.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-1-[2-(propylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 61387630
4-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)butanenitrile
CID 43243930
7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 113399039
7-fluoro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one
CID 61387656
7-fluoro-1-prop-2-ynyl-3,4-dihydroquinolin-2-one
CID 61344681
4-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide
CID 43243934
tert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 116662624
7-fluoro-1-[2-(propylaminomethyl)prop-2-enyl]-3,4-dihydroquinolin-2-one
CID 103071710
1-[(4-chloro-2-pyridinyl)methyl]-7-fluoro-3,4-dihydroquinolin-2-one
CID 79255098
7-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-3,4-dihydroquinolin-2-one
CID 175346345
1-[[2-(aminomethyl)-4-pyridinyl]methyl]-7-fluoro-3,4-dihydroquinolin-2-one
CID 63888859
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 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal?
The IUPAC name of 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal (CID 63041512) is 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal.
What is the SMILES notation for 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal?
The canonical SMILES for 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal is O=CCCN1C(=O)CCc2ccc(F)cc21.
What is the InChIKey of 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal?
The InChIKey is UVYXLJGAIKLHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c13-10-4-2-9-3-5-12(16)14(6-1-7-15)11(9)8-10/h2,4,7-8H,1,3,5-6H2.
What are the key properties of 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal?
3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal has a molecular weight of 221.23 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal is sourced from PubChem (CID 63041512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).