2-(4-chlorophenyl)-1-quinolin-2-ylethanone

C17H12ClNO — CID 63222375

IUPAC2-(4-chlorophenyl)-1-quinolin-2-ylethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C17H12ClNO/c18-14-8-5-12(6-9-14)11-17(20)16-10-7-13-3-1-2-4-15(13)19-16/h1-10H,11H2
InChIKeyHUTPVGVGNOTSCV-UHFFFAOYSA-N
MW281.74 g/mol
LogP4.31
Rot. Bonds3

About 2-(4-chlorophenyl)-1-quinolin-2-ylethanone

2-(4-chlorophenyl)-1-quinolin-2-ylethanone (PubChem CID 63222375) has the molecular formula C17H12ClNO and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-quinolin-2-ylethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-quinolin-2-ylethanone
PubChem CID63222375
Molecular FormulaC17H12ClNO
Molecular Weight281.74 g/mol
Exact Mass281.06
IUPAC Name2-(4-chlorophenyl)-1-quinolin-2-ylethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C17H12ClNO/c18-14-8-5-12(6-9-14)11-17(20)16-10-7-13-3-1-2-4-15(13)19-16/h1-10H,11H2
InChIKeyHUTPVGVGNOTSCV-UHFFFAOYSA-N
XLogP4.31
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-quinolin-2-ylethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-quinolin-2-ylethanone (CID 63222375) is 2-(4-chlorophenyl)-1-quinolin-2-ylethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-quinolin-2-ylethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-quinolin-2-ylethanone is O=C(Cc1ccc(Cl)cc1)c1ccc2ccccc2n1.
What is the InChIKey of 2-(4-chlorophenyl)-1-quinolin-2-ylethanone?
The InChIKey is HUTPVGVGNOTSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO/c18-14-8-5-12(6-9-14)11-17(20)16-10-7-13-3-1-2-4-15(13)19-16/h1-10H,11H2.
What are the key properties of 2-(4-chlorophenyl)-1-quinolin-2-ylethanone?
2-(4-chlorophenyl)-1-quinolin-2-ylethanone has a molecular weight of 281.74 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-quinolin-2-ylethanone is sourced from PubChem (CID 63222375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).