7-(2-fluorobenzoyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridin-3-one

C21H16F2N2O2 — CID 176501214

IUPAC7-(2-fluorobenzoyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridin-3-one
SMILESO=C(c1ccccc1F)N1CCc2cc(=O)n(-c3ccc(F)cc3)cc2C1
InChIInChI=1S/C21H16F2N2O2/c22-16-5-7-17(8-6-16)25-13-15-12-24(10-9-14(15)11-20(25)26)21(27)18-3-1-2-4-19(18)23/h1-8,11,13H,9-10,12H2
InChIKeyIWNJVNPRUVBRBH-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.31
Rot. Bonds2

About 7-(2-fluorobenzoyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridin-3-one

7-(2-fluorobenzoyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridin-3-one (PubChem CID 176501214) has the molecular formula C21H16F2N2O2 and a molecular weight of 366.37 g/mol. Its IUPAC name is 7-(2-fluorobenzoyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridin-3-one.

Molecular Properties

Compound Name7-(2-fluorobenzoyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridin-3-one
PubChem CID176501214
Molecular FormulaC21H16F2N2O2
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name7-(2-fluorobenzoyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridin-3-one
SMILESO=C(c1ccccc1F)N1CCc2cc(=O)n(-c3ccc(F)cc3)cc2C1
InChIInChI=1S/C21H16F2N2O2/c22-16-5-7-17(8-6-16)25-13-15-12-24(10-9-14(15)11-20(25)26)21(27)18-3-1-2-4-19(18)23/h1-8,11,13H,9-10,12H2
InChIKeyIWNJVNPRUVBRBH-UHFFFAOYSA-N
XLogP3.31
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 798980
(2-fluorophenyl)-[7-(1-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 82175783
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
(2-fluorophenyl)-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)methanone
CID 122176045
(2-fluorophenyl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110644446
(4-bromo-2-fluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24696867
1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one
CID 75377385
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(4-fluorophenyl)pyrrole-3-carbonitrile
CID 42748337
3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone
CID 62661303
(2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 890837
(3,5-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 3479388

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorobenzoyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridin-3-one?
The IUPAC name of 7-(2-fluorobenzoyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridin-3-one (CID 176501214) is 7-(2-fluorobenzoyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridin-3-one.
What is the SMILES notation for 7-(2-fluorobenzoyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridin-3-one?
The canonical SMILES for 7-(2-fluorobenzoyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridin-3-one is O=C(c1ccccc1F)N1CCc2cc(=O)n(-c3ccc(F)cc3)cc2C1.
What is the InChIKey of 7-(2-fluorobenzoyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridin-3-one?
The InChIKey is IWNJVNPRUVBRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O2/c22-16-5-7-17(8-6-16)25-13-15-12-24(10-9-14(15)11-20(25)26)21(27)18-3-1-2-4-19(18)23/h1-8,11,13H,9-10,12H2.
What are the key properties of 7-(2-fluorobenzoyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridin-3-one?
7-(2-fluorobenzoyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridin-3-one has a molecular weight of 366.37 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorobenzoyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridin-3-one is sourced from PubChem (CID 176501214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).