2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide

C19H17BrN2O4 — CID 100736984

IUPAC2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1OC
InChIInChI=1S/C19H17BrN2O4/c1-25-17-6-4-13(10-18(17)26-2)21-19(24)11-22-8-7-16(23)14-9-12(20)3-5-15(14)22/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyGBOJTSKDHDKLOJ-UHFFFAOYSA-N
MW417.26 g/mol
LogP3.42
Rot. Bonds5

About 2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide

2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 100736984) has the molecular formula C19H17BrN2O4 and a molecular weight of 417.26 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID100736984
Molecular FormulaC19H17BrN2O4
Molecular Weight417.26 g/mol
Exact Mass416.04
IUPAC Name2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1OC
InChIInChI=1S/C19H17BrN2O4/c1-25-17-6-4-13(10-18(17)26-2)21-19(24)11-22-8-7-16(23)14-9-12(20)3-5-15(14)22/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyGBOJTSKDHDKLOJ-UHFFFAOYSA-N
XLogP3.42
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 42537123
2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide
CID 100779672
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
N-(3-chloro-4-methoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47779782
2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide
CID 100736017
N-(3-bromophenyl)-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100741597
methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 100740419
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 100740360
2-(6-bromo-4-oxoquinolin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 100736460
2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 100739906
N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide
CID 100736190

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide (CID 100736984) is 2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1OC.
What is the InChIKey of 2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is GBOJTSKDHDKLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O4/c1-25-17-6-4-13(10-18(17)26-2)21-19(24)11-22-8-7-16(23)14-9-12(20)3-5-15(14)22/h3-10H,11H2,1-2H3,(H,21,24).
What are the key properties of 2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide?
2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 417.26 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 100736984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).