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

C15H21FN2O — CID 61387656

IUPAC7-fluoro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one
SMILESCCCNCCCN1C(=O)CCc2ccc(F)cc21
InChIInChI=1S/C15H21FN2O/c1-2-8-17-9-3-10-18-14-11-13(16)6-4-12(14)5-7-15(18)19/h4,6,11,17H,2-3,5,7-10H2,1H3
InChIKeyRTVONYXLJCLRGN-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.49
Rot. Bonds6

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

7-fluoro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one (PubChem CID 61387656) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 7-fluoro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-fluoro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one
PubChem CID61387656
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name7-fluoro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one
SMILESCCCNCCCN1C(=O)CCc2ccc(F)cc21
InChIInChI=1S/C15H21FN2O/c1-2-8-17-9-3-10-18-14-11-13(16)6-4-12(14)5-7-15(18)19/h4,6,11,17H,2-3,5,7-10H2,1H3
InChIKeyRTVONYXLJCLRGN-UHFFFAOYSA-N
XLogP2.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.49
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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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-fluoro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one (CID 61387656) is 7-fluoro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-fluoro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-fluoro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one is CCCNCCCN1C(=O)CCc2ccc(F)cc21.
What is the InChIKey of 7-fluoro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one?
The InChIKey is RTVONYXLJCLRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-2-8-17-9-3-10-18-14-11-13(16)6-4-12(14)5-7-15(18)19/h4,6,11,17H,2-3,5,7-10H2,1H3.
What are the key properties of 7-fluoro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one?
7-fluoro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one has a molecular weight of 264.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 61387656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).