2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide

C19H17BrN2O2 — CID 100739658

IUPAC2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2ccc(=O)c3ccc(Br)cc32)cc1
InChIInChI=1S/C19H17BrN2O2/c1-13-2-4-14(5-3-13)11-21-19(24)12-22-9-8-18(23)16-7-6-15(20)10-17(16)22/h2-10H,11-12H2,1H3,(H,21,24)
InChIKeyVSFZWJSJVCLUIB-UHFFFAOYSA-N
MW385.26 g/mol
LogP3.39
Rot. Bonds4

About 2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide

2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 100739658) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is 2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID100739658
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC Name2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2ccc(=O)c3ccc(Br)cc32)cc1
InChIInChI=1S/C19H17BrN2O2/c1-13-2-4-14(5-3-13)11-21-19(24)12-22-9-8-18(23)16-7-6-15(20)10-17(16)22/h2-10H,11-12H2,1H3,(H,21,24)
InChIKeyVSFZWJSJVCLUIB-UHFFFAOYSA-N
XLogP3.39
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
CID 100739512
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 100740360
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 100740902
2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide
CID 100736017
methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 100740419
2-(6-bromo-4-oxoquinolin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 100736460
2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 100740298
3-(7-bromo-4-oxoquinolin-1-yl)propanehydrazide
CID 53264328
N-(3-bromophenyl)-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100741597
ethyl 2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetate
CID 100779669

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 100739658) is 2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2ccc(=O)c3ccc(Br)cc32)cc1.
What is the InChIKey of 2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is VSFZWJSJVCLUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c1-13-2-4-14(5-3-13)11-21-19(24)12-22-9-8-18(23)16-7-6-15(20)10-17(16)22/h2-10H,11-12H2,1H3,(H,21,24).
What are the key properties of 2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 385.26 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 100739658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).