methyl 2-(4-bromophenyl)-2-(quinoline-5-carbonylamino)acetate

C19H15BrN2O3 — CID 60607922

IUPACmethyl 2-(4-bromophenyl)-2-(quinoline-5-carbonylamino)acetate
SMILESCOC(=O)C(NC(=O)c1cccc2ncccc12)c1ccc(Br)cc1
InChIInChI=1S/C19H15BrN2O3/c1-25-19(24)17(12-7-9-13(20)10-8-12)22-18(23)15-4-2-6-16-14(15)5-3-11-21-16/h2-11,17H,1H3,(H,22,23)
InChIKeyGFTDUJOGXKPPNU-UHFFFAOYSA-N
MW399.24 g/mol
LogP3.64
Rot. Bonds4

About methyl 2-(4-bromophenyl)-2-(quinoline-5-carbonylamino)acetate

methyl 2-(4-bromophenyl)-2-(quinoline-5-carbonylamino)acetate (PubChem CID 60607922) has the molecular formula C19H15BrN2O3 and a molecular weight of 399.24 g/mol. Its IUPAC name is methyl 2-(4-bromophenyl)-2-(quinoline-5-carbonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromophenyl)-2-(quinoline-5-carbonylamino)acetate
PubChem CID60607922
Molecular FormulaC19H15BrN2O3
Molecular Weight399.24 g/mol
Exact Mass398.03
IUPAC Namemethyl 2-(4-bromophenyl)-2-(quinoline-5-carbonylamino)acetate
SMILESCOC(=O)C(NC(=O)c1cccc2ncccc12)c1ccc(Br)cc1
InChIInChI=1S/C19H15BrN2O3/c1-25-19(24)17(12-7-9-13(20)10-8-12)22-18(23)15-4-2-6-16-14(15)5-3-11-21-16/h2-11,17H,1H3,(H,22,23)
InChIKeyGFTDUJOGXKPPNU-UHFFFAOYSA-N
XLogP3.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.24
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate
CID 43422482
N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide
CID 55725605
(2R)-2-(quinoline-5-carbonylamino)propanoic acid
CID 54990837
(2S)-3-methyl-2-(quinoline-5-carbonylamino)butanoic acid
CID 61137612
N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide
CID 43040180
N-(1-aminobutan-2-yl)quinoline-5-carboxamide
CID 63755174
(2S,3R)-3-hydroxy-2-(quinoline-5-carbonylamino)butanoic acid
CID 104964931
N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide
CID 115770742
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate
CID 94813092
methyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate
CID 94817951
methyl (2R)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
CID 6604858

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromophenyl)-2-(quinoline-5-carbonylamino)acetate?
The IUPAC name of methyl 2-(4-bromophenyl)-2-(quinoline-5-carbonylamino)acetate (CID 60607922) is methyl 2-(4-bromophenyl)-2-(quinoline-5-carbonylamino)acetate.
What is the SMILES notation for methyl 2-(4-bromophenyl)-2-(quinoline-5-carbonylamino)acetate?
The canonical SMILES for methyl 2-(4-bromophenyl)-2-(quinoline-5-carbonylamino)acetate is COC(=O)C(NC(=O)c1cccc2ncccc12)c1ccc(Br)cc1.
What is the InChIKey of methyl 2-(4-bromophenyl)-2-(quinoline-5-carbonylamino)acetate?
The InChIKey is GFTDUJOGXKPPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O3/c1-25-19(24)17(12-7-9-13(20)10-8-12)22-18(23)15-4-2-6-16-14(15)5-3-11-21-16/h2-11,17H,1H3,(H,22,23).
What are the key properties of methyl 2-(4-bromophenyl)-2-(quinoline-5-carbonylamino)acetate?
methyl 2-(4-bromophenyl)-2-(quinoline-5-carbonylamino)acetate has a molecular weight of 399.24 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromophenyl)-2-(quinoline-5-carbonylamino)acetate is sourced from PubChem (CID 60607922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).