1-(4-quinolin-2-ylphenyl)propan-2-one

C18H15NO — CID 82540961

IUPAC1-(4-quinolin-2-ylphenyl)propan-2-one
SMILESCC(=O)Cc1ccc(-c2ccc3ccccc3n2)cc1
InChIInChI=1S/C18H15NO/c1-13(20)12-14-6-8-16(9-7-14)18-11-10-15-4-2-3-5-17(15)19-18/h2-11H,12H2,1H3
InChIKeyVAPWPYCJHNHJEI-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.03
Rot. Bonds3

About 1-(4-quinolin-2-ylphenyl)propan-2-one

1-(4-quinolin-2-ylphenyl)propan-2-one (PubChem CID 82540961) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(4-quinolin-2-ylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-quinolin-2-ylphenyl)propan-2-one
PubChem CID82540961
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name1-(4-quinolin-2-ylphenyl)propan-2-one
SMILESCC(=O)Cc1ccc(-c2ccc3ccccc3n2)cc1
InChIInChI=1S/C18H15NO/c1-13(20)12-14-6-8-16(9-7-14)18-11-10-15-4-2-3-5-17(15)19-18/h2-11H,12H2,1H3
InChIKeyVAPWPYCJHNHJEI-UHFFFAOYSA-N
XLogP4.03
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-quinolin-2-ylphenyl)propan-2-one?
The IUPAC name of 1-(4-quinolin-2-ylphenyl)propan-2-one (CID 82540961) is 1-(4-quinolin-2-ylphenyl)propan-2-one.
What is the SMILES notation for 1-(4-quinolin-2-ylphenyl)propan-2-one?
The canonical SMILES for 1-(4-quinolin-2-ylphenyl)propan-2-one is CC(=O)Cc1ccc(-c2ccc3ccccc3n2)cc1.
What is the InChIKey of 1-(4-quinolin-2-ylphenyl)propan-2-one?
The InChIKey is VAPWPYCJHNHJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-13(20)12-14-6-8-16(9-7-14)18-11-10-15-4-2-3-5-17(15)19-18/h2-11H,12H2,1H3.
What are the key properties of 1-(4-quinolin-2-ylphenyl)propan-2-one?
1-(4-quinolin-2-ylphenyl)propan-2-one has a molecular weight of 261.32 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-quinolin-2-ylphenyl)propan-2-one is sourced from PubChem (CID 82540961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).