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

Analyze methyl 2-(4-bromophenyl)-2-(quinoline-5-carbonylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).