7-fluoro-1-[2-(propylamino)ethyl]-3,4-dihydroquinolin-2-one

C14H19FN2O — CID 61387630

IUPAC7-fluoro-1-[2-(propylamino)ethyl]-3,4-dihydroquinolin-2-one
SMILESCCCNCCN1C(=O)CCc2ccc(F)cc21
InChIInChI=1S/C14H19FN2O/c1-2-7-16-8-9-17-13-10-12(15)5-3-11(13)4-6-14(17)18/h3,5,10,16H,2,4,6-9H2,1H3
InChIKeyNVYJBOZWRMXTFR-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.10
Rot. Bonds5

About 7-fluoro-1-[2-(propylamino)ethyl]-3,4-dihydroquinolin-2-one

7-fluoro-1-[2-(propylamino)ethyl]-3,4-dihydroquinolin-2-one (PubChem CID 61387630) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 7-fluoro-1-[2-(propylamino)ethyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-fluoro-1-[2-(propylamino)ethyl]-3,4-dihydroquinolin-2-one
PubChem CID61387630
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name7-fluoro-1-[2-(propylamino)ethyl]-3,4-dihydroquinolin-2-one
SMILESCCCNCCN1C(=O)CCc2ccc(F)cc21
InChIInChI=1S/C14H19FN2O/c1-2-7-16-8-9-17-13-10-12(15)5-3-11(13)4-6-14(17)18/h3,5,10,16H,2,4,6-9H2,1H3
InChIKeyNVYJBOZWRMXTFR-UHFFFAOYSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one
CID 61387656
7-fluoro-1-[2-(propylaminomethyl)prop-2-enyl]-3,4-dihydroquinolin-2-one
CID 103071710
3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal
CID 63041512
7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 113399039
4-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)butanenitrile
CID 43243930
6-fluoro-1-[2-(propylamino)ethyl]indole-2,3-dione
CID 61387539
1-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]pyrrolidine-2,5-dione
CID 166921466
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
6-nitro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one
CID 61387942
7-fluoro-1-propan-2-yl-3,4-dihydroquinolin-2-one
CID 163270720

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[2-(propylamino)ethyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-fluoro-1-[2-(propylamino)ethyl]-3,4-dihydroquinolin-2-one (CID 61387630) is 7-fluoro-1-[2-(propylamino)ethyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-fluoro-1-[2-(propylamino)ethyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-fluoro-1-[2-(propylamino)ethyl]-3,4-dihydroquinolin-2-one is CCCNCCN1C(=O)CCc2ccc(F)cc21.
What is the InChIKey of 7-fluoro-1-[2-(propylamino)ethyl]-3,4-dihydroquinolin-2-one?
The InChIKey is NVYJBOZWRMXTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-7-16-8-9-17-13-10-12(15)5-3-11(13)4-6-14(17)18/h3,5,10,16H,2,4,6-9H2,1H3.
What are the key properties of 7-fluoro-1-[2-(propylamino)ethyl]-3,4-dihydroquinolin-2-one?
7-fluoro-1-[2-(propylamino)ethyl]-3,4-dihydroquinolin-2-one has a molecular weight of 250.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[2-(propylamino)ethyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 61387630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).