1-(4-chloroquinolin-2-yl)ethanone

C11H8ClNO — CID 14792596

IUPAC1-(4-chloroquinolin-2-yl)ethanone
SMILESCC(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C11H8ClNO/c1-7(14)11-6-9(12)8-4-2-3-5-10(8)13-11/h2-6H,1H3
InChIKeyPQYTXSADOIUKPO-UHFFFAOYSA-N
MW205.64 g/mol
LogP3.09
Rot. Bonds1

About 1-(4-chloroquinolin-2-yl)ethanone

1-(4-chloroquinolin-2-yl)ethanone (PubChem CID 14792596) has the molecular formula C11H8ClNO and a molecular weight of 205.64 g/mol. Its IUPAC name is 1-(4-chloroquinolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloroquinolin-2-yl)ethanone
PubChem CID14792596
Molecular FormulaC11H8ClNO
Molecular Weight205.64 g/mol
Exact Mass205.03
IUPAC Name1-(4-chloroquinolin-2-yl)ethanone
SMILESCC(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C11H8ClNO/c1-7(14)11-6-9(12)8-4-2-3-5-10(8)13-11/h2-6H,1H3
InChIKeyPQYTXSADOIUKPO-UHFFFAOYSA-N
XLogP3.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Benzoylquinoline
CID 727029
3-(2-Chloroquinolin-3-yl)-1-phenylprop-2-en-1-one
CID 6112225
2-Quinolinecarboxaldehyde
CID 79619
2-Chloro-N-cyclopropyl-4-quinolinecarboxamide
CID 7131550
2-Chloro-7-methylquinoline-3-carbaldehyde
CID 776184
2-Quinolinecarboxamide
CID 145787
2-(4-Chlorobenzoyl)pyridine
CID 80594
2-Methylquinoline-4-carboxamide
CID 85122
2-Chloroquinoline-4-carboxamide
CID 686022
2-Chloro-6-methylquinoline-3-carboxaldehyde
CID 689081
2-Chloro-8-methylquinoline-3-carboxaldehyde
CID 689082
2-Chloro-3-quinolinecarboxaldehyde
CID 690958

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloroquinolin-2-yl)ethanone?
The IUPAC name of 1-(4-chloroquinolin-2-yl)ethanone (CID 14792596) is 1-(4-chloroquinolin-2-yl)ethanone.
What is the SMILES notation for 1-(4-chloroquinolin-2-yl)ethanone?
The canonical SMILES for 1-(4-chloroquinolin-2-yl)ethanone is CC(=O)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of 1-(4-chloroquinolin-2-yl)ethanone?
The InChIKey is PQYTXSADOIUKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO/c1-7(14)11-6-9(12)8-4-2-3-5-10(8)13-11/h2-6H,1H3.
What are the key properties of 1-(4-chloroquinolin-2-yl)ethanone?
1-(4-chloroquinolin-2-yl)ethanone has a molecular weight of 205.64 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloroquinolin-2-yl)ethanone is sourced from PubChem (CID 14792596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).