N-[2-amino-3-(5-chloro-7-iodoquinolin-8-yl)oxyphenyl]acetamide

C17H13ClIN3O2 — CID 172655091

IUPACN-[2-amino-3-(5-chloro-7-iodoquinolin-8-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2c(I)cc(Cl)c3cccnc23)c1N
InChIInChI=1S/C17H13ClIN3O2/c1-9(23)22-13-5-2-6-14(15(13)20)24-17-12(19)8-11(18)10-4-3-7-21-16(10)17/h2-8H,20H2,1H3,(H,22,23)
InChIKeyKMLHLWJPMOZRAH-UHFFFAOYSA-N
MW453.67 g/mol
LogP4.83
Rot. Bonds3

About N-[2-amino-3-(5-chloro-7-iodoquinolin-8-yl)oxyphenyl]acetamide

N-[2-amino-3-(5-chloro-7-iodoquinolin-8-yl)oxyphenyl]acetamide (PubChem CID 172655091) has the molecular formula C17H13ClIN3O2 and a molecular weight of 453.67 g/mol. Its IUPAC name is N-[2-amino-3-(5-chloro-7-iodoquinolin-8-yl)oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-amino-3-(5-chloro-7-iodoquinolin-8-yl)oxyphenyl]acetamide
PubChem CID172655091
Molecular FormulaC17H13ClIN3O2
Molecular Weight453.67 g/mol
Exact Mass452.97
IUPAC NameN-[2-amino-3-(5-chloro-7-iodoquinolin-8-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2c(I)cc(Cl)c3cccnc23)c1N
InChIInChI=1S/C17H13ClIN3O2/c1-9(23)22-13-5-2-6-14(15(13)20)24-17-12(19)8-11(18)10-4-3-7-21-16(10)17/h2-8H,20H2,1H3,(H,22,23)
InChIKeyKMLHLWJPMOZRAH-UHFFFAOYSA-N
XLogP4.83
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.67
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-methoxypropanamide
CID 97201598
zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)
CID 10462414
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
ethyl 2-(5-chloro-7-iodoquinolin-8-yl)oxy-2-fluoroacetate
CID 79356762
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide
CID 24578666
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-(butan-2-ylamino)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
CID 42971775
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide
CID 71319984
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(4-methyl-2-nitrophenyl)acetamide
CID 24578657
[2-(2-fluorophenyl)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
CID 29343696

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3-(5-chloro-7-iodoquinolin-8-yl)oxyphenyl]acetamide?
The IUPAC name of N-[2-amino-3-(5-chloro-7-iodoquinolin-8-yl)oxyphenyl]acetamide (CID 172655091) is N-[2-amino-3-(5-chloro-7-iodoquinolin-8-yl)oxyphenyl]acetamide.
What is the SMILES notation for N-[2-amino-3-(5-chloro-7-iodoquinolin-8-yl)oxyphenyl]acetamide?
The canonical SMILES for N-[2-amino-3-(5-chloro-7-iodoquinolin-8-yl)oxyphenyl]acetamide is CC(=O)Nc1cccc(Oc2c(I)cc(Cl)c3cccnc23)c1N.
What is the InChIKey of N-[2-amino-3-(5-chloro-7-iodoquinolin-8-yl)oxyphenyl]acetamide?
The InChIKey is KMLHLWJPMOZRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClIN3O2/c1-9(23)22-13-5-2-6-14(15(13)20)24-17-12(19)8-11(18)10-4-3-7-21-16(10)17/h2-8H,20H2,1H3,(H,22,23).
What are the key properties of N-[2-amino-3-(5-chloro-7-iodoquinolin-8-yl)oxyphenyl]acetamide?
N-[2-amino-3-(5-chloro-7-iodoquinolin-8-yl)oxyphenyl]acetamide has a molecular weight of 453.67 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-3-(5-chloro-7-iodoquinolin-8-yl)oxyphenyl]acetamide is sourced from PubChem (CID 172655091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).