1-methyl-2-(2-phenylethyl)quinolin-4-one

C18H17NO — CID 165177826

IUPAC1-methyl-2-(2-phenylethyl)quinolin-4-one
SMILESCn1c(CCc2ccccc2)cc(=O)c2ccccc21
InChIInChI=1S/C18H17NO/c1-19-15(12-11-14-7-3-2-4-8-14)13-18(20)16-9-5-6-10-17(16)19/h2-10,13H,11-12H2,1H3
InChIKeyQWXQUQAVWMOBGJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.32
Rot. Bonds3

About 1-methyl-2-(2-phenylethyl)quinolin-4-one

1-methyl-2-(2-phenylethyl)quinolin-4-one (PubChem CID 165177826) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-methyl-2-(2-phenylethyl)quinolin-4-one.

Molecular Properties

Compound Name1-methyl-2-(2-phenylethyl)quinolin-4-one
PubChem CID165177826
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-methyl-2-(2-phenylethyl)quinolin-4-one
SMILESCn1c(CCc2ccccc2)cc(=O)c2ccccc21
InChIInChI=1S/C18H17NO/c1-19-15(12-11-14-7-3-2-4-8-14)13-18(20)16-9-5-6-10-17(16)19/h2-10,13H,11-12H2,1H3
InChIKeyQWXQUQAVWMOBGJ-UHFFFAOYSA-N
XLogP3.32
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-phenylethyl)quinolin-4-one?
The IUPAC name of 1-methyl-2-(2-phenylethyl)quinolin-4-one (CID 165177826) is 1-methyl-2-(2-phenylethyl)quinolin-4-one.
What is the SMILES notation for 1-methyl-2-(2-phenylethyl)quinolin-4-one?
The canonical SMILES for 1-methyl-2-(2-phenylethyl)quinolin-4-one is Cn1c(CCc2ccccc2)cc(=O)c2ccccc21.
What is the InChIKey of 1-methyl-2-(2-phenylethyl)quinolin-4-one?
The InChIKey is QWXQUQAVWMOBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-19-15(12-11-14-7-3-2-4-8-14)13-18(20)16-9-5-6-10-17(16)19/h2-10,13H,11-12H2,1H3.
What are the key properties of 1-methyl-2-(2-phenylethyl)quinolin-4-one?
1-methyl-2-(2-phenylethyl)quinolin-4-one has a molecular weight of 263.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-phenylethyl)quinolin-4-one is sourced from PubChem (CID 165177826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).