methyl 3-[[(6-bromo-2-oxo-1H-quinoline-4-carbonyl)amino]methyl]benzoate

C19H15BrN2O4 — CID 166490177

IUPACmethyl 3-[[(6-bromo-2-oxo-1H-quinoline-4-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1cccc(CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc23)c1
InChIInChI=1S/C19H15BrN2O4/c1-26-19(25)12-4-2-3-11(7-12)10-21-18(24)15-9-17(23)22-16-6-5-13(20)8-14(15)16/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyQGHKYNNJHOCEGD-UHFFFAOYSA-N
MW415.24 g/mol
LogP3.01
Rot. Bonds4

About methyl 3-[[(6-bromo-2-oxo-1H-quinoline-4-carbonyl)amino]methyl]benzoate

methyl 3-[[(6-bromo-2-oxo-1H-quinoline-4-carbonyl)amino]methyl]benzoate (PubChem CID 166490177) has the molecular formula C19H15BrN2O4 and a molecular weight of 415.24 g/mol. Its IUPAC name is methyl 3-[[(6-bromo-2-oxo-1H-quinoline-4-carbonyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[(6-bromo-2-oxo-1H-quinoline-4-carbonyl)amino]methyl]benzoate
PubChem CID166490177
Molecular FormulaC19H15BrN2O4
Molecular Weight415.24 g/mol
Exact Mass414.02
IUPAC Namemethyl 3-[[(6-bromo-2-oxo-1H-quinoline-4-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1cccc(CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc23)c1
InChIInChI=1S/C19H15BrN2O4/c1-26-19(25)12-4-2-3-11(7-12)10-21-18(24)15-9-17(23)22-16-6-5-13(20)8-14(15)16/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyQGHKYNNJHOCEGD-UHFFFAOYSA-N
XLogP3.01
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.24
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[(6-bromo-2-oxo-1H-quinoline-4-carbonyl)amino]methyl]benzoate with MolForge

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Related Compounds

methyl 3-[[(2-bromoacetyl)amino]methyl]benzoate
CID 58009722
6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 120828627
methyl 3-(acetamidomethyl)benzoate
CID 20717921
N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 34687096
6-fluoro-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-quinoline-4-carboxamide
CID 91770461
methyl 2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetate
CID 165461365
N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3617215
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26447386
methyl 3-[(4-methylpentanoylamino)methyl]benzoate
CID 144669400
2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 114371778
2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide
CID 103882071
3-[[(4-bromo-2-fluorobenzoyl)amino]methyl]benzoic acid
CID 60894951

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(6-bromo-2-oxo-1H-quinoline-4-carbonyl)amino]methyl]benzoate?
The IUPAC name of methyl 3-[[(6-bromo-2-oxo-1H-quinoline-4-carbonyl)amino]methyl]benzoate (CID 166490177) is methyl 3-[[(6-bromo-2-oxo-1H-quinoline-4-carbonyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 3-[[(6-bromo-2-oxo-1H-quinoline-4-carbonyl)amino]methyl]benzoate?
The canonical SMILES for methyl 3-[[(6-bromo-2-oxo-1H-quinoline-4-carbonyl)amino]methyl]benzoate is COC(=O)c1cccc(CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc23)c1.
What is the InChIKey of methyl 3-[[(6-bromo-2-oxo-1H-quinoline-4-carbonyl)amino]methyl]benzoate?
The InChIKey is QGHKYNNJHOCEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O4/c1-26-19(25)12-4-2-3-11(7-12)10-21-18(24)15-9-17(23)22-16-6-5-13(20)8-14(15)16/h2-9H,10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of methyl 3-[[(6-bromo-2-oxo-1H-quinoline-4-carbonyl)amino]methyl]benzoate?
methyl 3-[[(6-bromo-2-oxo-1H-quinoline-4-carbonyl)amino]methyl]benzoate has a molecular weight of 415.24 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(6-bromo-2-oxo-1H-quinoline-4-carbonyl)amino]methyl]benzoate is sourced from PubChem (CID 166490177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).