1-(4-quinolin-3-ylphenyl)propan-1-one

C18H15NO — CID 23005158

IUPAC1-(4-quinolin-3-ylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(-c2cnc3ccccc3c2)cc1
InChIInChI=1S/C18H15NO/c1-2-18(20)14-9-7-13(8-10-14)16-11-15-5-3-4-6-17(15)19-12-16/h3-12H,2H2,1H3
InChIKeyUDBTXPLVBDQADI-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.49
Rot. Bonds3

About 1-(4-quinolin-3-ylphenyl)propan-1-one

1-(4-quinolin-3-ylphenyl)propan-1-one (PubChem CID 23005158) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(4-quinolin-3-ylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-quinolin-3-ylphenyl)propan-1-one
PubChem CID23005158
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name1-(4-quinolin-3-ylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(-c2cnc3ccccc3c2)cc1
InChIInChI=1S/C18H15NO/c1-2-18(20)14-9-7-13(8-10-14)16-11-15-5-3-4-6-17(15)19-12-16/h3-12H,2H2,1H3
InChIKeyUDBTXPLVBDQADI-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-quinolin-3-ylphenyl)propan-1-one?
The IUPAC name of 1-(4-quinolin-3-ylphenyl)propan-1-one (CID 23005158) is 1-(4-quinolin-3-ylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-quinolin-3-ylphenyl)propan-1-one?
The canonical SMILES for 1-(4-quinolin-3-ylphenyl)propan-1-one is CCC(=O)c1ccc(-c2cnc3ccccc3c2)cc1.
What is the InChIKey of 1-(4-quinolin-3-ylphenyl)propan-1-one?
The InChIKey is UDBTXPLVBDQADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-2-18(20)14-9-7-13(8-10-14)16-11-15-5-3-4-6-17(15)19-12-16/h3-12H,2H2,1H3.
What are the key properties of 1-(4-quinolin-3-ylphenyl)propan-1-one?
1-(4-quinolin-3-ylphenyl)propan-1-one has a molecular weight of 261.32 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-quinolin-3-ylphenyl)propan-1-one is sourced from PubChem (CID 23005158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).