2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide

C19H16BrN3O3 — CID 100779672

IUPAC2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1
InChIInChI=1S/C19H16BrN3O3/c20-13-3-6-16-15(10-13)17(24)7-8-23(16)11-19(26)22-14-4-1-12(2-5-14)9-18(21)25/h1-8,10H,9,11H2,(H2,21,25)(H,22,26)
InChIKeyKNDTXZMXLAWZAG-UHFFFAOYSA-N
MW414.26 g/mol
LogP2.43
Rot. Bonds5

About 2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide

2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide (PubChem CID 100779672) has the molecular formula C19H16BrN3O3 and a molecular weight of 414.26 g/mol. Its IUPAC name is 2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide
PubChem CID100779672
Molecular FormulaC19H16BrN3O3
Molecular Weight414.26 g/mol
Exact Mass413.04
IUPAC Name2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1
InChIInChI=1S/C19H16BrN3O3/c20-13-3-6-16-15(10-13)17(24)7-8-23(16)11-19(26)22-14-4-1-12(2-5-14)9-18(21)25/h1-8,10H,9,11H2,(H2,21,25)(H,22,26)
InChIKeyKNDTXZMXLAWZAG-UHFFFAOYSA-N
XLogP2.43
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetate
CID 100779669
N-(4-bromophenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 43833238
2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 100736984
2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide
CID 100736017
N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide
CID 100736190
2-(6-bromo-4-oxoquinolin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 100736460
N-(3-bromophenyl)-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100741597
N-(4-chlorophenyl)-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100741578
2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100736482
2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 4291378
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide (CID 100779672) is 2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide is NC(=O)Cc1ccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1.
What is the InChIKey of 2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide?
The InChIKey is KNDTXZMXLAWZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3/c20-13-3-6-16-15(10-13)17(24)7-8-23(16)11-19(26)22-14-4-1-12(2-5-14)9-18(21)25/h1-8,10H,9,11H2,(H2,21,25)(H,22,26).
What are the key properties of 2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide?
2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide has a molecular weight of 414.26 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 100779672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).