2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide

C23H17BrN2O3 — CID 100740298

IUPAC2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide
SMILESO=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H17BrN2O3/c24-16-6-11-20-21(14-16)26(13-12-22(20)27)15-23(28)25-17-7-9-19(10-8-17)29-18-4-2-1-3-5-18/h1-14H,15H2,(H,25,28)
InChIKeyPLDKMRIOUCDXLN-UHFFFAOYSA-N
MW449.30 g/mol
LogP5.20
Rot. Bonds5

About 2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide

2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide (PubChem CID 100740298) has the molecular formula C23H17BrN2O3 and a molecular weight of 449.30 g/mol. Its IUPAC name is 2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide
PubChem CID100740298
Molecular FormulaC23H17BrN2O3
Molecular Weight449.30 g/mol
Exact Mass448.04
IUPAC Name2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide
SMILESO=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H17BrN2O3/c24-16-6-11-20-21(14-16)26(13-12-22(20)27)15-23(28)25-17-7-9-19(10-8-17)29-18-4-2-1-3-5-18/h1-14H,15H2,(H,25,28)
InChIKeyPLDKMRIOUCDXLN-UHFFFAOYSA-N
XLogP5.20
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.30
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 100740419
2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 100739906
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 100740874
2-(7-bromo-4-oxoquinolin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 100740218
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 100740902
2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide
CID 100738455
2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
CID 100739512
N-(4-bromophenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 43833238
2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 71827899
ethyl 2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetate
CID 100779669
2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide
CID 100779672
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 100740360

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide (CID 100740298) is 2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide is O=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide?
The InChIKey is PLDKMRIOUCDXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN2O3/c24-16-6-11-20-21(14-16)26(13-12-22(20)27)15-23(28)25-17-7-9-19(10-8-17)29-18-4-2-1-3-5-18/h1-14H,15H2,(H,25,28).
What are the key properties of 2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide?
2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide has a molecular weight of 449.30 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 100740298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).