1-(7-methyl-4-oxo-2-phenylquinolin-1-yl)ethyl acetate

C20H19NO3 — CID 174575747

IUPAC1-(7-methyl-4-oxo-2-phenylquinolin-1-yl)ethyl acetate
SMILESCC(=O)OC(C)n1c(-c2ccccc2)cc(=O)c2ccc(C)cc21
InChIInChI=1S/C20H19NO3/c1-13-9-10-17-19(11-13)21(14(2)24-15(3)22)18(12-20(17)23)16-7-5-4-6-8-16/h4-12,14H,1-3H3
InChIKeyIJEPKQGZTAMCNL-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.06
Rot. Bonds3

About 1-(7-methyl-4-oxo-2-phenylquinolin-1-yl)ethyl acetate

1-(7-methyl-4-oxo-2-phenylquinolin-1-yl)ethyl acetate (PubChem CID 174575747) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(7-methyl-4-oxo-2-phenylquinolin-1-yl)ethyl acetate.

Molecular Properties

Compound Name1-(7-methyl-4-oxo-2-phenylquinolin-1-yl)ethyl acetate
PubChem CID174575747
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name1-(7-methyl-4-oxo-2-phenylquinolin-1-yl)ethyl acetate
SMILESCC(=O)OC(C)n1c(-c2ccccc2)cc(=O)c2ccc(C)cc21
InChIInChI=1S/C20H19NO3/c1-13-9-10-17-19(11-13)21(14(2)24-15(3)22)18(12-20(17)23)16-7-5-4-6-8-16/h4-12,14H,1-3H3
InChIKeyIJEPKQGZTAMCNL-UHFFFAOYSA-N
XLogP4.06
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-4-oxo-2-phenylquinolin-1-yl)ethyl acetate?
The IUPAC name of 1-(7-methyl-4-oxo-2-phenylquinolin-1-yl)ethyl acetate (CID 174575747) is 1-(7-methyl-4-oxo-2-phenylquinolin-1-yl)ethyl acetate.
What is the SMILES notation for 1-(7-methyl-4-oxo-2-phenylquinolin-1-yl)ethyl acetate?
The canonical SMILES for 1-(7-methyl-4-oxo-2-phenylquinolin-1-yl)ethyl acetate is CC(=O)OC(C)n1c(-c2ccccc2)cc(=O)c2ccc(C)cc21.
What is the InChIKey of 1-(7-methyl-4-oxo-2-phenylquinolin-1-yl)ethyl acetate?
The InChIKey is IJEPKQGZTAMCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-13-9-10-17-19(11-13)21(14(2)24-15(3)22)18(12-20(17)23)16-7-5-4-6-8-16/h4-12,14H,1-3H3.
What are the key properties of 1-(7-methyl-4-oxo-2-phenylquinolin-1-yl)ethyl acetate?
1-(7-methyl-4-oxo-2-phenylquinolin-1-yl)ethyl acetate has a molecular weight of 321.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-4-oxo-2-phenylquinolin-1-yl)ethyl acetate is sourced from PubChem (CID 174575747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).