2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone

C17H11Cl2NO — CID 105102618

IUPAC2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone
SMILESO=C(Cc1cc(Cl)ccc1Cl)c1cccc2cccnc12
InChIInChI=1S/C17H11Cl2NO/c18-13-6-7-15(19)12(9-13)10-16(21)14-5-1-3-11-4-2-8-20-17(11)14/h1-9H,10H2
InChIKeyYQZDNKSLXBPHKN-UHFFFAOYSA-N
MW316.19 g/mol
LogP4.97
Rot. Bonds3

About 2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone

2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone (PubChem CID 105102618) has the molecular formula C17H11Cl2NO and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone
PubChem CID105102618
Molecular FormulaC17H11Cl2NO
Molecular Weight316.19 g/mol
Exact Mass315.02
IUPAC Name2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone
SMILESO=C(Cc1cc(Cl)ccc1Cl)c1cccc2cccnc12
InChIInChI=1S/C17H11Cl2NO/c18-13-6-7-15(19)12(9-13)10-16(21)14-5-1-3-11-4-2-8-20-17(11)14/h1-9H,10H2
InChIKeyYQZDNKSLXBPHKN-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-(2,3-dichlorophenyl)-1-quinolin-8-ylethanone
CID 107311695
2-(2,5-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105102625
2-(2-chloro-3-fluorophenyl)-1-quinolin-8-ylethanone
CID 105127133
(2,4-dichlorophenyl)-quinolin-8-ylmethanone
CID 115604879
2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone
CID 115790827
2-phenyl-1-quinolin-8-ylethanone
CID 10999362
2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone
CID 105089007
2-(3-aminophenyl)-1-quinolin-8-ylethanone
CID 116577224
2-(4-iodophenyl)-1-quinolin-8-ylethanone
CID 105103153
2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanamine
CID 105151425
2-ethylsulfanyl-1-quinolin-8-ylethanone
CID 81220485
2-(2,5-dichlorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 65321217

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone (CID 105102618) is 2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone is O=C(Cc1cc(Cl)ccc1Cl)c1cccc2cccnc12.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone?
The InChIKey is YQZDNKSLXBPHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO/c18-13-6-7-15(19)12(9-13)10-16(21)14-5-1-3-11-4-2-8-20-17(11)14/h1-9H,10H2.
What are the key properties of 2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone?
2-(2,5-dichlorophenyl)-1-quinolin-8-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-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone is sourced from PubChem (CID 105102618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).