2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone

C17H11Cl2NO — CID 105089800

IUPAC2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)c1ccnc2ccccc12
InChIInChI=1S/C17H11Cl2NO/c18-14-6-5-11(9-15(14)19)10-17(21)13-7-8-20-16-4-2-1-3-12(13)16/h1-9H,10H2
InChIKeyYZPLTYLVLAWUNS-UHFFFAOYSA-N
MW316.19 g/mol
LogP4.97
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone

2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone (PubChem CID 105089800) has the molecular formula C17H11Cl2NO and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone
PubChem CID105089800
Molecular FormulaC17H11Cl2NO
Molecular Weight316.19 g/mol
Exact Mass315.02
IUPAC Name2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)c1ccnc2ccccc12
InChIInChI=1S/C17H11Cl2NO/c18-14-6-5-11(9-15(14)19)10-17(21)13-7-8-20-16-4-2-1-3-12(13)16/h1-9H,10H2
InChIKeyYZPLTYLVLAWUNS-UHFFFAOYSA-N
XLogP4.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-1-quinolin-4-ylethanone
CID 105080568
2-(3,4-dichlorophenyl)-1-isoquinolin-4-ylethanone
CID 63940735
2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone
CID 63490590
2-(3,4-dichlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 63045615
2-bromo-1-quinolin-4-ylethanone;hydrobromide
CID 86652931
2-(4-aminophenyl)-1-quinolin-5-ylethanone
CID 116549569
(2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone
CID 105396628
2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone
CID 63490619
1-quinolin-4-ylbut-3-yn-1-one
CID 105076388
1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide
CID 173164108
1-quinolin-4-yldecan-1-one
CID 105086389
2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 62621745

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone (CID 105089800) is 2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone is O=C(Cc1ccc(Cl)c(Cl)c1)c1ccnc2ccccc12.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone?
The InChIKey is YZPLTYLVLAWUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO/c18-14-6-5-11(9-15(14)19)10-17(21)13-7-8-20-16-4-2-1-3-12(13)16/h1-9H,10H2.
What are the key properties of 2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone?
2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone has a molecular weight of 316.19 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone is sourced from PubChem (CID 105089800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).