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

C18H19FN2O2 — CID 91917834

IUPAC1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-fluorophenyl)ethanone
SMILESCCOc1ccc2c(n1)CCN(C(=O)Cc1cccc(F)c1)C2
InChIInChI=1S/C18H19FN2O2/c1-2-23-17-7-6-14-12-21(9-8-16(14)20-17)18(22)11-13-4-3-5-15(19)10-13/h3-7,10H,2,8-9,11-12H2,1H3
InChIKeyHYOWIHHEJNIDLL-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.75
Rot. Bonds4

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

1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-fluorophenyl)ethanone (PubChem CID 91917834) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-fluorophenyl)ethanone
PubChem CID91917834
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-fluorophenyl)ethanone
SMILESCCOc1ccc2c(n1)CCN(C(=O)Cc1cccc(F)c1)C2
InChIInChI=1S/C18H19FN2O2/c1-2-23-17-7-6-14-12-21(9-8-16(14)20-17)18(22)11-13-4-3-5-15(19)10-13/h3-7,10H,2,8-9,11-12H2,1H3
InChIKeyHYOWIHHEJNIDLL-UHFFFAOYSA-N
XLogP2.75
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 91917884
1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-phenylethanone
CID 91917912
2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 163339047
(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylphenyl)methanone
CID 91907650
3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 91917843
1-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-fluorophenyl)ethanone
CID 114523285
4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one
CID 110708115
N-cyclopentyl-2-ethoxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 91917863
2-(3-fluorophenyl)-1-(4-methoxy-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)ethanone
CID 97404876
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(2-ethylpyrazol-3-yl)methanone
CID 91917868
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110804301

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-fluorophenyl)ethanone (CID 91917834) is 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-fluorophenyl)ethanone is CCOc1ccc2c(n1)CCN(C(=O)Cc1cccc(F)c1)C2.
What is the InChIKey of 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-fluorophenyl)ethanone?
The InChIKey is HYOWIHHEJNIDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-2-23-17-7-6-14-12-21(9-8-16(14)20-17)18(22)11-13-4-3-5-15(19)10-13/h3-7,10H,2,8-9,11-12H2,1H3.
What are the key properties of 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-fluorophenyl)ethanone?
1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-fluorophenyl)ethanone has a molecular weight of 314.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 91917834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).