7-(dimethylamino)-1-ethyl-6-fluoro-1,8-naphthyridin-4-one

C12H14FN3O — CID 71378099

IUPAC7-(dimethylamino)-1-ethyl-6-fluoro-1,8-naphthyridin-4-one
SMILESCCn1ccc(=O)c2cc(F)c(N(C)C)nc21
InChIInChI=1S/C12H14FN3O/c1-4-16-6-5-10(17)8-7-9(13)12(15(2)3)14-11(8)16/h5-7H,4H2,1-3H3
InChIKeyALEFXAXAACIKPG-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.62
Rot. Bonds2

About 7-(dimethylamino)-1-ethyl-6-fluoro-1,8-naphthyridin-4-one

7-(dimethylamino)-1-ethyl-6-fluoro-1,8-naphthyridin-4-one (PubChem CID 71378099) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 7-(dimethylamino)-1-ethyl-6-fluoro-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-(dimethylamino)-1-ethyl-6-fluoro-1,8-naphthyridin-4-one
PubChem CID71378099
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name7-(dimethylamino)-1-ethyl-6-fluoro-1,8-naphthyridin-4-one
SMILESCCn1ccc(=O)c2cc(F)c(N(C)C)nc21
InChIInChI=1S/C12H14FN3O/c1-4-16-6-5-10(17)8-7-9(13)12(15(2)3)14-11(8)16/h5-7H,4H2,1-3H3
InChIKeyALEFXAXAACIKPG-UHFFFAOYSA-N
XLogP1.62
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-1-ethyl-6-fluoro-1,8-naphthyridin-4-one?
The IUPAC name of 7-(dimethylamino)-1-ethyl-6-fluoro-1,8-naphthyridin-4-one (CID 71378099) is 7-(dimethylamino)-1-ethyl-6-fluoro-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-(dimethylamino)-1-ethyl-6-fluoro-1,8-naphthyridin-4-one?
The canonical SMILES for 7-(dimethylamino)-1-ethyl-6-fluoro-1,8-naphthyridin-4-one is CCn1ccc(=O)c2cc(F)c(N(C)C)nc21.
What is the InChIKey of 7-(dimethylamino)-1-ethyl-6-fluoro-1,8-naphthyridin-4-one?
The InChIKey is ALEFXAXAACIKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-4-16-6-5-10(17)8-7-9(13)12(15(2)3)14-11(8)16/h5-7H,4H2,1-3H3.
What are the key properties of 7-(dimethylamino)-1-ethyl-6-fluoro-1,8-naphthyridin-4-one?
7-(dimethylamino)-1-ethyl-6-fluoro-1,8-naphthyridin-4-one has a molecular weight of 235.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-1-ethyl-6-fluoro-1,8-naphthyridin-4-one is sourced from PubChem (CID 71378099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).