6-chloro-3-iodo-4-phenoxy-1H-quinolin-2-one

C15H9ClINO2 — CID 68556010

IUPAC6-chloro-3-iodo-4-phenoxy-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(Oc2ccccc2)c1I
InChIInChI=1S/C15H9ClINO2/c16-9-6-7-12-11(8-9)14(13(17)15(19)18-12)20-10-4-2-1-3-5-10/h1-8H,(H,18,19)
InChIKeyYZHZLVFDEYHQSG-UHFFFAOYSA-N
MW397.60 g/mol
LogP4.58
Rot. Bonds2

About 6-chloro-3-iodo-4-phenoxy-1H-quinolin-2-one

6-chloro-3-iodo-4-phenoxy-1H-quinolin-2-one (PubChem CID 68556010) has the molecular formula C15H9ClINO2 and a molecular weight of 397.60 g/mol. Its IUPAC name is 6-chloro-3-iodo-4-phenoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-iodo-4-phenoxy-1H-quinolin-2-one
PubChem CID68556010
Molecular FormulaC15H9ClINO2
Molecular Weight397.60 g/mol
Exact Mass396.94
IUPAC Name6-chloro-3-iodo-4-phenoxy-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(Oc2ccccc2)c1I
InChIInChI=1S/C15H9ClINO2/c16-9-6-7-12-11(8-9)14(13(17)15(19)18-12)20-10-4-2-1-3-5-10/h1-8H,(H,18,19)
InChIKeyYZHZLVFDEYHQSG-UHFFFAOYSA-N
XLogP4.58
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.60
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate
CID 174726646
6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one
CID 3446328
(3-amino-6-chloro-2-oxo-1H-quinolin-4-yl)oxyboronic acid
CID 178066419
8-chloro-4-iodo-3-methoxy-1H-1-benzazepine-2,5-dione
CID 18980002
6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one
CID 715752
3-amino-6-chloro-4-(2-fluorophenyl)-1H-quinolin-2-one
CID 44561344
6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
CID 54699044
acetic acid;6-chloro-2,3-diphenoxynaphthalene-1,4-diol
CID 71331804
6-chloro-3-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one
CID 135447621
N-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide
CID 44561346
3-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]propanoic acid
CID 4157880
6-chloro-3-[3-(4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 3123581

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-iodo-4-phenoxy-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-iodo-4-phenoxy-1H-quinolin-2-one (CID 68556010) is 6-chloro-3-iodo-4-phenoxy-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-iodo-4-phenoxy-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-iodo-4-phenoxy-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2c(Oc2ccccc2)c1I.
What is the InChIKey of 6-chloro-3-iodo-4-phenoxy-1H-quinolin-2-one?
The InChIKey is YZHZLVFDEYHQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClINO2/c16-9-6-7-12-11(8-9)14(13(17)15(19)18-12)20-10-4-2-1-3-5-10/h1-8H,(H,18,19).
What are the key properties of 6-chloro-3-iodo-4-phenoxy-1H-quinolin-2-one?
6-chloro-3-iodo-4-phenoxy-1H-quinolin-2-one has a molecular weight of 397.60 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-iodo-4-phenoxy-1H-quinolin-2-one is sourced from PubChem (CID 68556010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).