2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide

C19H15ClIN3O5 — CID 17383276

IUPAC2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2c(I)cc(Cl)c3cccnc23)cc1[N+](=O)[O-]
InChIInChI=1S/C19H15ClIN3O5/c1-28-16-5-4-11(7-15(16)24(26)27)9-23-17(25)10-29-19-14(21)8-13(20)12-3-2-6-22-18(12)19/h2-8H,9-10H2,1H3,(H,23,25)
InChIKeyZPRRWHDJUGXXEC-UHFFFAOYSA-N
MW527.70 g/mol
LogP4.10
Rot. Bonds7

About 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide

2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide (PubChem CID 17383276) has the molecular formula C19H15ClIN3O5 and a molecular weight of 527.70 g/mol. Its IUPAC name is 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide
PubChem CID17383276
Molecular FormulaC19H15ClIN3O5
Molecular Weight527.70 g/mol
Exact Mass526.97
IUPAC Name2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2c(I)cc(Cl)c3cccnc23)cc1[N+](=O)[O-]
InChIInChI=1S/C19H15ClIN3O5/c1-28-16-5-4-11(7-15(16)24(26)27)9-23-17(25)10-29-19-14(21)8-13(20)12-3-2-6-22-18(12)19/h2-8H,9-10H2,1H3,(H,23,25)
InChIKeyZPRRWHDJUGXXEC-UHFFFAOYSA-N
XLogP4.10
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.70
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide
CID 17385923
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23912279
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide
CID 24578687
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide
CID 24578666
zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)
CID 10462414
(2S)-2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-methoxypropanamide
CID 97201598
butyl 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
CID 63416672
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473645
tert-butyl N-[(4-methoxy-3-nitrophenyl)methyl]carbamate
CID 22981317

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide?
The IUPAC name of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide (CID 17383276) is 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide?
The canonical SMILES for 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide is COc1ccc(CNC(=O)COc2c(I)cc(Cl)c3cccnc23)cc1[N+](=O)[O-].
What is the InChIKey of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide?
The InChIKey is ZPRRWHDJUGXXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClIN3O5/c1-28-16-5-4-11(7-15(16)24(26)27)9-23-17(25)10-29-19-14(21)8-13(20)12-3-2-6-22-18(12)19/h2-8H,9-10H2,1H3,(H,23,25).
What are the key properties of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide?
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide has a molecular weight of 527.70 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 17383276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).