4-(4-quinolin-2-ylphenyl)butan-2-one

C19H17NO — CID 82540955

IUPAC4-(4-quinolin-2-ylphenyl)butan-2-one
SMILESCC(=O)CCc1ccc(-c2ccc3ccccc3n2)cc1
InChIInChI=1S/C19H17NO/c1-14(21)6-7-15-8-10-17(11-9-15)19-13-12-16-4-2-3-5-18(16)20-19/h2-5,8-13H,6-7H2,1H3
InChIKeyJXVNDZVMCLHOGR-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.42
Rot. Bonds4

About 4-(4-quinolin-2-ylphenyl)butan-2-one

4-(4-quinolin-2-ylphenyl)butan-2-one (PubChem CID 82540955) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(4-quinolin-2-ylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(4-quinolin-2-ylphenyl)butan-2-one
PubChem CID82540955
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name4-(4-quinolin-2-ylphenyl)butan-2-one
SMILESCC(=O)CCc1ccc(-c2ccc3ccccc3n2)cc1
InChIInChI=1S/C19H17NO/c1-14(21)6-7-15-8-10-17(11-9-15)19-13-12-16-4-2-3-5-18(16)20-19/h2-5,8-13H,6-7H2,1H3
InChIKeyJXVNDZVMCLHOGR-UHFFFAOYSA-N
XLogP4.42
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-quinolin-2-ylphenyl)butan-2-one?
The IUPAC name of 4-(4-quinolin-2-ylphenyl)butan-2-one (CID 82540955) is 4-(4-quinolin-2-ylphenyl)butan-2-one.
What is the SMILES notation for 4-(4-quinolin-2-ylphenyl)butan-2-one?
The canonical SMILES for 4-(4-quinolin-2-ylphenyl)butan-2-one is CC(=O)CCc1ccc(-c2ccc3ccccc3n2)cc1.
What is the InChIKey of 4-(4-quinolin-2-ylphenyl)butan-2-one?
The InChIKey is JXVNDZVMCLHOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-14(21)6-7-15-8-10-17(11-9-15)19-13-12-16-4-2-3-5-18(16)20-19/h2-5,8-13H,6-7H2,1H3.
What are the key properties of 4-(4-quinolin-2-ylphenyl)butan-2-one?
4-(4-quinolin-2-ylphenyl)butan-2-one has a molecular weight of 275.35 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-quinolin-2-ylphenyl)butan-2-one is sourced from PubChem (CID 82540955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).