1-(2-naphthalen-1-ylquinolin-4-yl)ethanone

C21H15NO — CID 140742402

IUPAC1-(2-naphthalen-1-ylquinolin-4-yl)ethanone
SMILESCC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C21H15NO/c1-14(23)19-13-21(22-20-12-5-4-10-18(19)20)17-11-6-8-15-7-2-3-9-16(15)17/h2-13H,1H3
InChIKeyGUCJLDAJZYUMGI-UHFFFAOYSA-N
MW297.36 g/mol
LogP5.26
Rot. Bonds2

About 1-(2-naphthalen-1-ylquinolin-4-yl)ethanone

1-(2-naphthalen-1-ylquinolin-4-yl)ethanone (PubChem CID 140742402) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(2-naphthalen-1-ylquinolin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-naphthalen-1-ylquinolin-4-yl)ethanone
PubChem CID140742402
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Name1-(2-naphthalen-1-ylquinolin-4-yl)ethanone
SMILESCC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C21H15NO/c1-14(23)19-13-21(22-20-12-5-4-10-18(19)20)17-11-6-8-15-7-2-3-9-16(15)17/h2-13H,1H3
InChIKeyGUCJLDAJZYUMGI-UHFFFAOYSA-N
XLogP5.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.36
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-1-ylquinoline-4-carbonyl chloride
CID 91689267
N-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 24687149
N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 4802439
2-naphthalen-1-yl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
CID 7535347
[2-oxo-2-(propan-2-ylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 2569270
[2-(benzylamino)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 2335666
1-[2-[4-(2-methoxyphenyl)phenyl]quinolin-4-yl]ethanone
CID 145465068
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 4008225
N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353296
6-methyl-2-naphthalen-1-yl-4-phenylquinoline
CID 154716813
6-bromo-2-naphthalen-1-ylquinoline-4-carboxamide
CID 91689273
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide
CID 167826383

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-1-ylquinolin-4-yl)ethanone?
The IUPAC name of 1-(2-naphthalen-1-ylquinolin-4-yl)ethanone (CID 140742402) is 1-(2-naphthalen-1-ylquinolin-4-yl)ethanone.
What is the SMILES notation for 1-(2-naphthalen-1-ylquinolin-4-yl)ethanone?
The canonical SMILES for 1-(2-naphthalen-1-ylquinolin-4-yl)ethanone is CC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12.
What is the InChIKey of 1-(2-naphthalen-1-ylquinolin-4-yl)ethanone?
The InChIKey is GUCJLDAJZYUMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO/c1-14(23)19-13-21(22-20-12-5-4-10-18(19)20)17-11-6-8-15-7-2-3-9-16(15)17/h2-13H,1H3.
What are the key properties of 1-(2-naphthalen-1-ylquinolin-4-yl)ethanone?
1-(2-naphthalen-1-ylquinolin-4-yl)ethanone has a molecular weight of 297.36 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-1-ylquinolin-4-yl)ethanone is sourced from PubChem (CID 140742402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).