7-fluoro-1-[2-(propylaminomethyl)prop-2-enyl]-3,4-dihydroquinolin-2-one

C16H21FN2O — CID 103071710

IUPAC7-fluoro-1-[2-(propylaminomethyl)prop-2-enyl]-3,4-dihydroquinolin-2-one
SMILESC=C(CNCCC)CN1C(=O)CCc2ccc(F)cc21
InChIInChI=1S/C16H21FN2O/c1-3-8-18-10-12(2)11-19-15-9-14(17)6-4-13(15)5-7-16(19)20/h4,6,9,18H,2-3,5,7-8,10-11H2,1H3
InChIKeyVJAHGZNIEZEEQC-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.66
Rot. Bonds6

About 7-fluoro-1-[2-(propylaminomethyl)prop-2-enyl]-3,4-dihydroquinolin-2-one

7-fluoro-1-[2-(propylaminomethyl)prop-2-enyl]-3,4-dihydroquinolin-2-one (PubChem CID 103071710) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is 7-fluoro-1-[2-(propylaminomethyl)prop-2-enyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-fluoro-1-[2-(propylaminomethyl)prop-2-enyl]-3,4-dihydroquinolin-2-one
PubChem CID103071710
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name7-fluoro-1-[2-(propylaminomethyl)prop-2-enyl]-3,4-dihydroquinolin-2-one
SMILESC=C(CNCCC)CN1C(=O)CCc2ccc(F)cc21
InChIInChI=1S/C16H21FN2O/c1-3-8-18-10-12(2)11-19-15-9-14(17)6-4-13(15)5-7-16(19)20/h4,6,9,18H,2-3,5,7-8,10-11H2,1H3
InChIKeyVJAHGZNIEZEEQC-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-1-[2-(propylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 61387630
7-fluoro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one
CID 61387656
4,4-dimethyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-2,6-dione
CID 103072355
7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 113399039
3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal
CID 63041512
7-fluoro-1-prop-2-ynyl-3,4-dihydroquinolin-2-one
CID 61344681
1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one
CID 62017896
1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one
CID 62017892
4-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)butanenitrile
CID 43243930
tert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 116662624
ethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate
CID 63899076
4-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide
CID 43243934

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[2-(propylaminomethyl)prop-2-enyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-fluoro-1-[2-(propylaminomethyl)prop-2-enyl]-3,4-dihydroquinolin-2-one (CID 103071710) is 7-fluoro-1-[2-(propylaminomethyl)prop-2-enyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-fluoro-1-[2-(propylaminomethyl)prop-2-enyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-fluoro-1-[2-(propylaminomethyl)prop-2-enyl]-3,4-dihydroquinolin-2-one is C=C(CNCCC)CN1C(=O)CCc2ccc(F)cc21.
What is the InChIKey of 7-fluoro-1-[2-(propylaminomethyl)prop-2-enyl]-3,4-dihydroquinolin-2-one?
The InChIKey is VJAHGZNIEZEEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-3-8-18-10-12(2)11-19-15-9-14(17)6-4-13(15)5-7-16(19)20/h4,6,9,18H,2-3,5,7-8,10-11H2,1H3.
What are the key properties of 7-fluoro-1-[2-(propylaminomethyl)prop-2-enyl]-3,4-dihydroquinolin-2-one?
7-fluoro-1-[2-(propylaminomethyl)prop-2-enyl]-3,4-dihydroquinolin-2-one has a molecular weight of 276.36 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[2-(propylaminomethyl)prop-2-enyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 103071710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).