2-(3,5-dichloro-4-hydroxyphenyl)-1-quinolin-3-ylethanone

C17H11Cl2NO2 — CID 66716474

IUPAC2-(3,5-dichloro-4-hydroxyphenyl)-1-quinolin-3-ylethanone
SMILESO=C(Cc1cc(Cl)c(O)c(Cl)c1)c1cnc2ccccc2c1
InChIInChI=1S/C17H11Cl2NO2/c18-13-5-10(6-14(19)17(13)22)7-16(21)12-8-11-3-1-2-4-15(11)20-9-12/h1-6,8-9,22H,7H2
InChIKeyAYEXKQFLPHFNRS-UHFFFAOYSA-N
MW332.19 g/mol
LogP4.67
Rot. Bonds3

About 2-(3,5-dichloro-4-hydroxyphenyl)-1-quinolin-3-ylethanone

2-(3,5-dichloro-4-hydroxyphenyl)-1-quinolin-3-ylethanone (PubChem CID 66716474) has the molecular formula C17H11Cl2NO2 and a molecular weight of 332.19 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-hydroxyphenyl)-1-quinolin-3-ylethanone.

Molecular Properties

Compound Name2-(3,5-dichloro-4-hydroxyphenyl)-1-quinolin-3-ylethanone
PubChem CID66716474
Molecular FormulaC17H11Cl2NO2
Molecular Weight332.19 g/mol
Exact Mass331.02
IUPAC Name2-(3,5-dichloro-4-hydroxyphenyl)-1-quinolin-3-ylethanone
SMILESO=C(Cc1cc(Cl)c(O)c(Cl)c1)c1cnc2ccccc2c1
InChIInChI=1S/C17H11Cl2NO2/c18-13-5-10(6-14(19)17(13)22)7-16(21)12-8-11-3-1-2-4-15(11)20-9-12/h1-6,8-9,22H,7H2
InChIKeyAYEXKQFLPHFNRS-UHFFFAOYSA-N
XLogP4.67
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-4-yl-1-quinolin-3-ylethanone
CID 62551225
quinoline-3-carboxylate
CID 4608508
3,3-dimethyl-1-quinolin-3-ylbutan-1-one
CID 63892352
quinoline-3-carboxamide;hydrofluoride
CID 174911514
1-quinolin-3-yloctan-1-one
CID 114963108
3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one
CID 105080957
2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-quinolin-3-ylethanone
CID 160953844
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
4-[2-(3,5-dichloro-4-hydroxyphenyl)acetyl]benzoic acid
CID 158377713
3-(3-methylphenyl)-1-quinolin-3-ylpropan-1-one
CID 105081061
(3,5-dichloro-2-pyridinyl)-quinolin-3-ylmethanone
CID 79787017
3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one
CID 114963138

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-hydroxyphenyl)-1-quinolin-3-ylethanone?
The IUPAC name of 2-(3,5-dichloro-4-hydroxyphenyl)-1-quinolin-3-ylethanone (CID 66716474) is 2-(3,5-dichloro-4-hydroxyphenyl)-1-quinolin-3-ylethanone.
What is the SMILES notation for 2-(3,5-dichloro-4-hydroxyphenyl)-1-quinolin-3-ylethanone?
The canonical SMILES for 2-(3,5-dichloro-4-hydroxyphenyl)-1-quinolin-3-ylethanone is O=C(Cc1cc(Cl)c(O)c(Cl)c1)c1cnc2ccccc2c1.
What is the InChIKey of 2-(3,5-dichloro-4-hydroxyphenyl)-1-quinolin-3-ylethanone?
The InChIKey is AYEXKQFLPHFNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO2/c18-13-5-10(6-14(19)17(13)22)7-16(21)12-8-11-3-1-2-4-15(11)20-9-12/h1-6,8-9,22H,7H2.
What are the key properties of 2-(3,5-dichloro-4-hydroxyphenyl)-1-quinolin-3-ylethanone?
2-(3,5-dichloro-4-hydroxyphenyl)-1-quinolin-3-ylethanone has a molecular weight of 332.19 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-hydroxyphenyl)-1-quinolin-3-ylethanone is sourced from PubChem (CID 66716474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).