methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate

C19H15BrN2O4 — CID 100740419

IUPACmethyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)cc1
InChIInChI=1S/C19H15BrN2O4/c1-26-19(25)12-2-5-14(6-3-12)21-18(24)11-22-9-8-17(23)15-7-4-13(20)10-16(15)22/h2-10H,11H2,1H3,(H,21,24)
InChIKeyIHDHKAPYYKPFAM-UHFFFAOYSA-N
MW415.24 g/mol
LogP3.19
Rot. Bonds4

About methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate

methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate (PubChem CID 100740419) has the molecular formula C19H15BrN2O4 and a molecular weight of 415.24 g/mol. Its IUPAC name is methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate
PubChem CID100740419
Molecular FormulaC19H15BrN2O4
Molecular Weight415.24 g/mol
Exact Mass414.02
IUPAC Namemethyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)cc1
InChIInChI=1S/C19H15BrN2O4/c1-26-19(25)12-2-5-14(6-3-12)21-18(24)11-22-9-8-17(23)15-7-4-13(20)10-16(15)22/h2-10H,11H2,1H3,(H,21,24)
InChIKeyIHDHKAPYYKPFAM-UHFFFAOYSA-N
XLogP3.19
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.24
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 100739906
2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 100740298
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-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 100740218
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 100740902
2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 100736984
2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide
CID 100738455
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-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 100739658
ethyl 4-[[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 100741952

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate (CID 100740419) is methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)cc1.
What is the InChIKey of methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate?
The InChIKey is IHDHKAPYYKPFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O4/c1-26-19(25)12-2-5-14(6-3-12)21-18(24)11-22-9-8-17(23)15-7-4-13(20)10-16(15)22/h2-10H,11H2,1H3,(H,21,24).
What are the key properties of methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate?
methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate has a molecular weight of 415.24 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 100740419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).