5,7-dichloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one

C16H11Cl2NO3 — CID 54713050

IUPAC5,7-dichloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one
SMILESCOc1ccc(-c2c(O)c3c(Cl)cc(Cl)cc3[nH]c2=O)cc1
InChIInChI=1S/C16H11Cl2NO3/c1-22-10-4-2-8(3-5-10)13-15(20)14-11(18)6-9(17)7-12(14)19-16(13)21/h2-7H,1H3,(H2,19,20,21)
InChIKeyIEZITYYNMLSDRX-UHFFFAOYSA-N
MW336.17 g/mol
LogP4.22
Rot. Bonds2

About 5,7-dichloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one

5,7-dichloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one (PubChem CID 54713050) has the molecular formula C16H11Cl2NO3 and a molecular weight of 336.17 g/mol. Its IUPAC name is 5,7-dichloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name5,7-dichloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one
PubChem CID54713050
Molecular FormulaC16H11Cl2NO3
Molecular Weight336.17 g/mol
Exact Mass335.01
IUPAC Name5,7-dichloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one
SMILESCOc1ccc(-c2c(O)c3c(Cl)cc(Cl)cc3[nH]c2=O)cc1
InChIInChI=1S/C16H11Cl2NO3/c1-22-10-4-2-8(3-5-10)13-15(20)14-11(18)6-9(17)7-12(14)19-16(13)21/h2-7H,1H3,(H2,19,20,21)
InChIKeyIEZITYYNMLSDRX-UHFFFAOYSA-N
XLogP4.22
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-Chloro-4-hydroxy-3-(3-phenoxyphenyl)-2(1H)-quinolinone
CID 54682505
3-Phenyl-4-hydroxy-7-chloroquinolin-2(1H)-one
CID 54697468
5,7-dichloro-4-hydroxy-3-phenyl-1H-quinolin-2-one
CID 54710618
7-chloro-4-hydroxy-3-(4-phenoxyphenyl)-2(1H)-Quinolinone
CID 54679302
7-Chloroquinolone,3-(O-hydroxyphenyl)
CID 10492365
7-Chloro-4-hydroxy-3-[3-(4-methoxymethoxy-benzyl)-phenyl]-1H-quinolin-2-one
CID 54678940
7-chloro-4-hydroxy-3-(3-methoxyphenyl)-2(1H)-quinolone
CID 54685508
2QUINOLONE4HYDROXY7CHLORO3-p-MeO-BzPh
CID 54689452
N-(3-Chlorophenyl)-3-(4-methoxyphenyl)propanamide
CID 903519
3-[(3-chlorophenyl)amino]-4-(4-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539464
4-Chloro-2-{[(4-methoxyphenyl)acetyl]amino}benzoic acid
CID 839406
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 3604523

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one?
The IUPAC name of 5,7-dichloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one (CID 54713050) is 5,7-dichloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one.
What is the SMILES notation for 5,7-dichloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one?
The canonical SMILES for 5,7-dichloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one is COc1ccc(-c2c(O)c3c(Cl)cc(Cl)cc3[nH]c2=O)cc1.
What is the InChIKey of 5,7-dichloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one?
The InChIKey is IEZITYYNMLSDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO3/c1-22-10-4-2-8(3-5-10)13-15(20)14-11(18)6-9(17)7-12(14)19-16(13)21/h2-7H,1H3,(H2,19,20,21).
What are the key properties of 5,7-dichloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one?
5,7-dichloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one has a molecular weight of 336.17 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one is sourced from PubChem (CID 54713050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).