1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone

C18H15NO2 — CID 105064886

IUPAC1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone
SMILESCOc1cnccc1C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H15NO2/c1-21-18-12-19-10-9-16(18)17(20)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-10,12H,11H2,1H3
InChIKeyQLKDWQXJTPRFCT-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.67
Rot. Bonds4

About 1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone

1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone (PubChem CID 105064886) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone
PubChem CID105064886
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone
SMILESCOc1cnccc1C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H15NO2/c1-21-18-12-19-10-9-16(18)17(20)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-10,12H,11H2,1H3
InChIKeyQLKDWQXJTPRFCT-UHFFFAOYSA-N
XLogP3.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 105065080
1-isoquinolin-4-yl-2-(2-methoxyphenyl)ethanone
CID 63939387
2-(2-chloro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 106865544
N-[(2-hydroxyphenyl)methyl]-3-methoxypyridine-4-carboxamide
CID 105063699
1-(2-methoxyphenyl)-2-quinolin-4-ylethanone
CID 11380387
(3-amino-4-pyridinyl)-(2-methoxynaphthalen-1-yl)methanone
CID 53414360
(2-methoxyphenyl) 2-naphthalen-1-ylacetate
CID 836864
2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 105065016
2-(3-chloro-4-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 103042865
2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 106267638
[(1S)-1-(3-methoxy-4-pyridinyl)ethyl] 1-hydroxynaphthalene-2-carboxylate
CID 11232536
1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone
CID 105087972

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone (CID 105064886) is 1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone is COc1cnccc1C(=O)Cc1cccc2ccccc12.
What is the InChIKey of 1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone?
The InChIKey is QLKDWQXJTPRFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-21-18-12-19-10-9-16(18)17(20)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-10,12H,11H2,1H3.
What are the key properties of 1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone?
1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone has a molecular weight of 277.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone is sourced from PubChem (CID 105064886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).