5-acetyl-8-phenylmethoxy-3H-quinolin-2-one

C18H15NO3 — CID 71776173

IUPAC5-acetyl-8-phenylmethoxy-3H-quinolin-2-one
SMILESCC(=O)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2
InChIInChI=1S/C18H15NO3/c1-12(20)14-7-9-16(18-15(14)8-10-17(21)19-18)22-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3
InChIKeyJLOSXVISUUPMPY-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.80
Rot. Bonds4

About 5-acetyl-8-phenylmethoxy-3H-quinolin-2-one

5-acetyl-8-phenylmethoxy-3H-quinolin-2-one (PubChem CID 71776173) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-acetyl-8-phenylmethoxy-3H-quinolin-2-one.

Molecular Properties

Compound Name5-acetyl-8-phenylmethoxy-3H-quinolin-2-one
PubChem CID71776173
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name5-acetyl-8-phenylmethoxy-3H-quinolin-2-one
SMILESCC(=O)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2
InChIInChI=1S/C18H15NO3/c1-12(20)14-7-9-16(18-15(14)8-10-17(21)19-18)22-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3
InChIKeyJLOSXVISUUPMPY-UHFFFAOYSA-N
XLogP1.80
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3-iodo-4-phenylmethoxyphenyl)ethanone
CID 91863476
6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid
CID 91863726
methyl 6-acetyl-2-methoxy-3-phenylmethoxybenzoate
CID 91864043
1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
CID 122531292
1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone
CID 147786681
2-(3-acetyl-2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 91864276
2-(6-acetyl-2-methyl-3-phenylmethoxyphenyl)acetic acid
CID 91863973
1-(2-amino-4-phenylmethoxy-1,3-benzoxazol-7-yl)ethanone;hydrochloride
CID 91659246
ethyl 6-acetyl-2-methyl-3-phenylmethoxybenzoate
CID 91864126
1-[2-chloro-4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethanone
CID 91863406
6-acetyl-2-chloro-3-phenylmethoxybenzonitrile
CID 91863645
1-(3-bromo-2-nitro-4-phenylmethoxyphenyl)ethanone
CID 91863246

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-8-phenylmethoxy-3H-quinolin-2-one?
The IUPAC name of 5-acetyl-8-phenylmethoxy-3H-quinolin-2-one (CID 71776173) is 5-acetyl-8-phenylmethoxy-3H-quinolin-2-one.
What is the SMILES notation for 5-acetyl-8-phenylmethoxy-3H-quinolin-2-one?
The canonical SMILES for 5-acetyl-8-phenylmethoxy-3H-quinolin-2-one is CC(=O)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2.
What is the InChIKey of 5-acetyl-8-phenylmethoxy-3H-quinolin-2-one?
The InChIKey is JLOSXVISUUPMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12(20)14-7-9-16(18-15(14)8-10-17(21)19-18)22-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3.
What are the key properties of 5-acetyl-8-phenylmethoxy-3H-quinolin-2-one?
5-acetyl-8-phenylmethoxy-3H-quinolin-2-one has a molecular weight of 293.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-8-phenylmethoxy-3H-quinolin-2-one is sourced from PubChem (CID 71776173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).