7-[2-(diethylamino)ethylamino]-6-fluoro-1H-quinolin-2-one

C15H20FN3O — CID 68989429

IUPAC7-[2-(diethylamino)ethylamino]-6-fluoro-1H-quinolin-2-one
SMILESCCN(CC)CCNc1cc2[nH]c(=O)ccc2cc1F
InChIInChI=1S/C15H20FN3O/c1-3-19(4-2)8-7-17-14-10-13-11(9-12(14)16)5-6-15(20)18-13/h5-6,9-10,17H,3-4,7-8H2,1-2H3,(H,18,20)
InChIKeyFYAZIHXPVXJYHJ-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.42
Rot. Bonds6

About 7-[2-(diethylamino)ethylamino]-6-fluoro-1H-quinolin-2-one

7-[2-(diethylamino)ethylamino]-6-fluoro-1H-quinolin-2-one (PubChem CID 68989429) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 7-[2-(diethylamino)ethylamino]-6-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[2-(diethylamino)ethylamino]-6-fluoro-1H-quinolin-2-one
PubChem CID68989429
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name7-[2-(diethylamino)ethylamino]-6-fluoro-1H-quinolin-2-one
SMILESCCN(CC)CCNc1cc2[nH]c(=O)ccc2cc1F
InChIInChI=1S/C15H20FN3O/c1-3-19(4-2)8-7-17-14-10-13-11(9-12(14)16)5-6-15(20)18-13/h5-6,9-10,17H,3-4,7-8H2,1-2H3,(H,18,20)
InChIKeyFYAZIHXPVXJYHJ-UHFFFAOYSA-N
XLogP2.42
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(diethylamino)ethylamino]-6-fluoro-1H-quinolin-2-one?
The IUPAC name of 7-[2-(diethylamino)ethylamino]-6-fluoro-1H-quinolin-2-one (CID 68989429) is 7-[2-(diethylamino)ethylamino]-6-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 7-[2-(diethylamino)ethylamino]-6-fluoro-1H-quinolin-2-one?
The canonical SMILES for 7-[2-(diethylamino)ethylamino]-6-fluoro-1H-quinolin-2-one is CCN(CC)CCNc1cc2[nH]c(=O)ccc2cc1F.
What is the InChIKey of 7-[2-(diethylamino)ethylamino]-6-fluoro-1H-quinolin-2-one?
The InChIKey is FYAZIHXPVXJYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-3-19(4-2)8-7-17-14-10-13-11(9-12(14)16)5-6-15(20)18-13/h5-6,9-10,17H,3-4,7-8H2,1-2H3,(H,18,20).
What are the key properties of 7-[2-(diethylamino)ethylamino]-6-fluoro-1H-quinolin-2-one?
7-[2-(diethylamino)ethylamino]-6-fluoro-1H-quinolin-2-one has a molecular weight of 277.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(diethylamino)ethylamino]-6-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 68989429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).