7-(2-phenylethyl)-1H-quinolin-4-one

C17H15NO — CID 19075085

IUPAC7-(2-phenylethyl)-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(CCc3ccccc3)ccc12
InChIInChI=1S/C17H15NO/c19-17-10-11-18-16-12-14(8-9-15(16)17)7-6-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H,18,19)
InChIKeyIWNIUJMMYSRCBZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.31
Rot. Bonds3

About 7-(2-phenylethyl)-1H-quinolin-4-one

7-(2-phenylethyl)-1H-quinolin-4-one (PubChem CID 19075085) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 7-(2-phenylethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name7-(2-phenylethyl)-1H-quinolin-4-one
PubChem CID19075085
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name7-(2-phenylethyl)-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(CCc3ccccc3)ccc12
InChIInChI=1S/C17H15NO/c19-17-10-11-18-16-12-14(8-9-15(16)17)7-6-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H,18,19)
InChIKeyIWNIUJMMYSRCBZ-UHFFFAOYSA-N
XLogP3.31
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(2-phenylethyl)-1H-quinolin-4-one?
The IUPAC name of 7-(2-phenylethyl)-1H-quinolin-4-one (CID 19075085) is 7-(2-phenylethyl)-1H-quinolin-4-one.
What is the SMILES notation for 7-(2-phenylethyl)-1H-quinolin-4-one?
The canonical SMILES for 7-(2-phenylethyl)-1H-quinolin-4-one is O=c1cc[nH]c2cc(CCc3ccccc3)ccc12.
What is the InChIKey of 7-(2-phenylethyl)-1H-quinolin-4-one?
The InChIKey is IWNIUJMMYSRCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c19-17-10-11-18-16-12-14(8-9-15(16)17)7-6-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H,18,19).
What are the key properties of 7-(2-phenylethyl)-1H-quinolin-4-one?
7-(2-phenylethyl)-1H-quinolin-4-one has a molecular weight of 249.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenylethyl)-1H-quinolin-4-one is sourced from PubChem (CID 19075085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).