2-(3-fluorophenyl)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone

C19H21FN2O3 — CID 91917884

IUPAC2-(3-fluorophenyl)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
SMILESCOCCOc1ccc2c(n1)CCN(C(=O)Cc1cccc(F)c1)C2
InChIInChI=1S/C19H21FN2O3/c1-24-9-10-25-18-6-5-15-13-22(8-7-17(15)21-18)19(23)12-14-3-2-4-16(20)11-14/h2-6,11H,7-10,12-13H2,1H3
InChIKeyUSLLZQRINKYHHU-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.37
Rot. Bonds6

About 2-(3-fluorophenyl)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone

2-(3-fluorophenyl)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone (PubChem CID 91917884) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
PubChem CID91917884
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name2-(3-fluorophenyl)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
SMILESCOCCOc1ccc2c(n1)CCN(C(=O)Cc1cccc(F)c1)C2
InChIInChI=1S/C19H21FN2O3/c1-24-9-10-25-18-6-5-15-13-22(8-7-17(15)21-18)19(23)12-14-3-2-4-16(20)11-14/h2-6,11H,7-10,12-13H2,1H3
InChIKeyUSLLZQRINKYHHU-UHFFFAOYSA-N
XLogP2.37
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-fluorophenyl)ethanone
CID 91917834
1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-phenylethanone
CID 91917912
3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one
CID 163338737
2-(3-chlorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one
CID 163338667
2-(2-methoxyethoxy)-N-(2-methylphenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 91917909
2-(3-fluorophenyl)-1-(4-methoxy-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)ethanone
CID 97404876
[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-3-ylmethanone
CID 91917893
(2-ethylpyrazol-3-yl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 91917917
1-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-fluorophenyl)ethanone
CID 114523285
4-[5-[2-(3-fluorophenyl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
CID 91834797
2-(3-fluorophenyl)-1-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
CID 131641109
2-(3-fluorophenyl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone
CID 110662498

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone (CID 91917884) is 2-(3-fluorophenyl)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone is COCCOc1ccc2c(n1)CCN(C(=O)Cc1cccc(F)c1)C2.
What is the InChIKey of 2-(3-fluorophenyl)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The InChIKey is USLLZQRINKYHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-24-9-10-25-18-6-5-15-13-22(8-7-17(15)21-18)19(23)12-14-3-2-4-16(20)11-14/h2-6,11H,7-10,12-13H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
2-(3-fluorophenyl)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone has a molecular weight of 344.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 91917884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).