2-(5-chloro-7-iodoquinolin-8-yl)oxy-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone

C17H14ClIN2O2 — CID 24623003

IUPAC2-(5-chloro-7-iodoquinolin-8-yl)oxy-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)COc2c(I)cc(Cl)c3cccnc23)c(C)[nH]1
InChIInChI=1S/C17H14ClIN2O2/c1-9-6-12(10(2)21-9)15(22)8-23-17-14(19)7-13(18)11-4-3-5-20-16(11)17/h3-7,21H,8H2,1-2H3
InChIKeyNMKHYABVNHJRBT-UHFFFAOYSA-N
MW440.67 g/mol
LogP4.70
Rot. Bonds4

About 2-(5-chloro-7-iodoquinolin-8-yl)oxy-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone

2-(5-chloro-7-iodoquinolin-8-yl)oxy-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone (PubChem CID 24623003) has the molecular formula C17H14ClIN2O2 and a molecular weight of 440.67 g/mol. Its IUPAC name is 2-(5-chloro-7-iodoquinolin-8-yl)oxy-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-7-iodoquinolin-8-yl)oxy-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
PubChem CID24623003
Molecular FormulaC17H14ClIN2O2
Molecular Weight440.67 g/mol
Exact Mass439.98
IUPAC Name2-(5-chloro-7-iodoquinolin-8-yl)oxy-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)COc2c(I)cc(Cl)c3cccnc23)c(C)[nH]1
InChIInChI=1S/C17H14ClIN2O2/c1-9-6-12(10(2)21-9)15(22)8-23-17-14(19)7-13(18)11-4-3-5-20-16(11)17/h3-7,21H,8H2,1-2H3
InChIKeyNMKHYABVNHJRBT-UHFFFAOYSA-N
XLogP4.70
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.67
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-7-iodoquinolin-8-yl)oxy-3,3-dimethylbutan-2-one
CID 24578624
[2-(2-fluorophenyl)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
CID 29343696
butyl 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
CID 63416672
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide
CID 24578687
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide
CID 71319984
zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)
CID 10462414
ethyl 2-(5-chloro-7-iodoquinolin-8-yl)oxy-2-fluoroacetate
CID 79356762
[2-(butan-2-ylamino)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
CID 42971775
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide
CID 24578666
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(4-methyl-2-nitrophenyl)acetamide
CID 24578657
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide
CID 24578664
4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal
CID 71517386

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The IUPAC name of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone (CID 24623003) is 2-(5-chloro-7-iodoquinolin-8-yl)oxy-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(5-chloro-7-iodoquinolin-8-yl)oxy-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 2-(5-chloro-7-iodoquinolin-8-yl)oxy-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone is Cc1cc(C(=O)COc2c(I)cc(Cl)c3cccnc23)c(C)[nH]1.
What is the InChIKey of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The InChIKey is NMKHYABVNHJRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClIN2O2/c1-9-6-12(10(2)21-9)15(22)8-23-17-14(19)7-13(18)11-4-3-5-20-16(11)17/h3-7,21H,8H2,1-2H3.
What are the key properties of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
2-(5-chloro-7-iodoquinolin-8-yl)oxy-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone has a molecular weight of 440.67 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-7-iodoquinolin-8-yl)oxy-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 24623003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).