2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide

C19H17BrN2O3 — CID 100740360

IUPAC2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1ccc(=O)c2ccc(Br)cc21
InChIInChI=1S/C19H17BrN2O3/c1-12-3-6-18(25-2)15(9-12)21-19(24)11-22-8-7-17(23)14-5-4-13(20)10-16(14)22/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyGWMKIRQXKRPUDQ-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.72
Rot. Bonds4

About 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide

2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 100740360) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID100740360
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC Name2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1ccc(=O)c2ccc(Br)cc21
InChIInChI=1S/C19H17BrN2O3/c1-12-3-6-18(25-2)15(9-12)21-19(24)11-22-8-7-17(23)14-5-4-13(20)10-16(14)22/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyGWMKIRQXKRPUDQ-UHFFFAOYSA-N
XLogP3.72
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromo-4-oxoquinolin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 100736460
2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 100739658
N-(2-methoxy-5-methylphenyl)-2-(4-oxo-5H-pyrrolo[3,2-c]pyridin-1-yl)acetamide
CID 46395627
methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 100740419
2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 100736984
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 100740902
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
2-(4-bromo-2-chloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 33169745
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47780117
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 100740874
N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-4-oxoquinolin-1-yl)acetamide
CID 100743429
2-(4-bromo-2-methylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1363313

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide (CID 100740360) is 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)Cn1ccc(=O)c2ccc(Br)cc21.
What is the InChIKey of 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is GWMKIRQXKRPUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c1-12-3-6-18(25-2)15(9-12)21-19(24)11-22-8-7-17(23)14-5-4-13(20)10-16(14)22/h3-10H,11H2,1-2H3,(H,21,24).
What are the key properties of 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 401.26 g/mol, XLogP of 3.72, 4 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-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 100740360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).