3-(4-chloroquinolin-2-yl)-1-phenylpropan-1-one

C18H14ClNO — CID 132941648

IUPAC3-(4-chloroquinolin-2-yl)-1-phenylpropan-1-one
SMILESO=C(CCc1cc(Cl)c2ccccc2n1)c1ccccc1
InChIInChI=1S/C18H14ClNO/c19-16-12-14(20-17-9-5-4-8-15(16)17)10-11-18(21)13-6-2-1-3-7-13/h1-9,12H,10-11H2
InChIKeyIUXNNJZKABQTIG-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.70
Rot. Bonds4

About 3-(4-chloroquinolin-2-yl)-1-phenylpropan-1-one

3-(4-chloroquinolin-2-yl)-1-phenylpropan-1-one (PubChem CID 132941648) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-(4-chloroquinolin-2-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-chloroquinolin-2-yl)-1-phenylpropan-1-one
PubChem CID132941648
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name3-(4-chloroquinolin-2-yl)-1-phenylpropan-1-one
SMILESO=C(CCc1cc(Cl)c2ccccc2n1)c1ccccc1
InChIInChI=1S/C18H14ClNO/c19-16-12-14(20-17-9-5-4-8-15(16)17)10-11-18(21)13-6-2-1-3-7-13/h1-9,12H,10-11H2
InChIKeyIUXNNJZKABQTIG-UHFFFAOYSA-N
XLogP4.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroquinolin-2-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(4-chloroquinolin-2-yl)-1-phenylpropan-1-one (CID 132941648) is 3-(4-chloroquinolin-2-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(4-chloroquinolin-2-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(4-chloroquinolin-2-yl)-1-phenylpropan-1-one is O=C(CCc1cc(Cl)c2ccccc2n1)c1ccccc1.
What is the InChIKey of 3-(4-chloroquinolin-2-yl)-1-phenylpropan-1-one?
The InChIKey is IUXNNJZKABQTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO/c19-16-12-14(20-17-9-5-4-8-15(16)17)10-11-18(21)13-6-2-1-3-7-13/h1-9,12H,10-11H2.
What are the key properties of 3-(4-chloroquinolin-2-yl)-1-phenylpropan-1-one?
3-(4-chloroquinolin-2-yl)-1-phenylpropan-1-one has a molecular weight of 295.77 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroquinolin-2-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 132941648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).