2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide

C15H15ClIN3O3 — CID 24578687

IUPAC2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)COc1c(I)cc(Cl)c2cccnc12
InChIInChI=1S/C15H15ClIN3O3/c1-8(2)19-15(22)20-12(21)7-23-14-11(17)6-10(16)9-4-3-5-18-13(9)14/h3-6,8H,7H2,1-2H3,(H2,19,20,21,22)
InChIKeyOAZIZQYPXNNKPT-UHFFFAOYSA-N
MW447.66 g/mol
LogP3.11
Rot. Bonds4

About 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide

2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 24578687) has the molecular formula C15H15ClIN3O3 and a molecular weight of 447.66 g/mol. Its IUPAC name is 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID24578687
Molecular FormulaC15H15ClIN3O3
Molecular Weight447.66 g/mol
Exact Mass446.98
IUPAC Name2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)COc1c(I)cc(Cl)c2cccnc12
InChIInChI=1S/C15H15ClIN3O3/c1-8(2)19-15(22)20-12(21)7-23-14-11(17)6-10(16)9-4-3-5-18-13(9)14/h3-6,8H,7H2,1-2H3,(H2,19,20,21,22)
InChIKeyOAZIZQYPXNNKPT-UHFFFAOYSA-N
XLogP3.11
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.66
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(butan-2-ylamino)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
CID 42971775
1-(5-chloro-7-iodoquinolin-8-yl)oxy-3,3-dimethylbutan-2-one
CID 24578624
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide
CID 24578664
butyl 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
CID 63416672
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide
CID 24578666
(2S)-2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-methoxypropanamide
CID 97201598
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(4-methyl-2-nitrophenyl)acetamide
CID 24578657
2-(5-chloro-7-iodoquinolin-8-yl)oxy-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 24623003
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide
CID 71319984
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide
CID 17383276
zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)
CID 10462414
ethyl 2-(5-chloro-7-iodoquinolin-8-yl)oxy-2-fluoroacetate
CID 79356762

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide (CID 24578687) is 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)COc1c(I)cc(Cl)c2cccnc12.
What is the InChIKey of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is OAZIZQYPXNNKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClIN3O3/c1-8(2)19-15(22)20-12(21)7-23-14-11(17)6-10(16)9-4-3-5-18-13(9)14/h3-6,8H,7H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide?
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 447.66 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 24578687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).