3-(2-amino-5-oxo-4H-imidazole-3-carbonyl)-1-benzyl-6-bromoquinolin-4-one

C20H15BrN4O3 — CID 118585681

IUPAC3-(2-amino-5-oxo-4H-imidazole-3-carbonyl)-1-benzyl-6-bromoquinolin-4-one
SMILESNC1=NC(=O)CN1C(=O)c1cn(Cc2ccccc2)c2ccc(Br)cc2c1=O
InChIInChI=1S/C20H15BrN4O3/c21-13-6-7-16-14(8-13)18(27)15(19(28)25-11-17(26)23-20(25)22)10-24(16)9-12-4-2-1-3-5-12/h1-8,10H,9,11H2,(H2,22,23,26)
InChIKeySQNIPXOGLRKYNS-UHFFFAOYSA-N
MW439.27 g/mol
LogP2.11
Rot. Bonds3

About 3-(2-amino-5-oxo-4H-imidazole-3-carbonyl)-1-benzyl-6-bromoquinolin-4-one

3-(2-amino-5-oxo-4H-imidazole-3-carbonyl)-1-benzyl-6-bromoquinolin-4-one (PubChem CID 118585681) has the molecular formula C20H15BrN4O3 and a molecular weight of 439.27 g/mol. Its IUPAC name is 3-(2-amino-5-oxo-4H-imidazole-3-carbonyl)-1-benzyl-6-bromoquinolin-4-one.

Molecular Properties

Compound Name3-(2-amino-5-oxo-4H-imidazole-3-carbonyl)-1-benzyl-6-bromoquinolin-4-one
PubChem CID118585681
Molecular FormulaC20H15BrN4O3
Molecular Weight439.27 g/mol
Exact Mass438.03
IUPAC Name3-(2-amino-5-oxo-4H-imidazole-3-carbonyl)-1-benzyl-6-bromoquinolin-4-one
SMILESNC1=NC(=O)CN1C(=O)c1cn(Cc2ccccc2)c2ccc(Br)cc2c1=O
InChIInChI=1S/C20H15BrN4O3/c21-13-6-7-16-14(8-13)18(27)15(19(28)25-11-17(26)23-20(25)22)10-24(16)9-12-4-2-1-3-5-12/h1-8,10H,9,11H2,(H2,22,23,26)
InChIKeySQNIPXOGLRKYNS-UHFFFAOYSA-N
XLogP2.11
TPSA97.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-amino-5-oxo-4H-imidazole-3-carbonyl)-1-benzyl-6-bromoquinolin-4-one 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 3-(2-amino-5-oxo-4H-imidazole-3-carbonyl)-1-benzyl-6-bromoquinolin-4-one?
The IUPAC name of 3-(2-amino-5-oxo-4H-imidazole-3-carbonyl)-1-benzyl-6-bromoquinolin-4-one (CID 118585681) is 3-(2-amino-5-oxo-4H-imidazole-3-carbonyl)-1-benzyl-6-bromoquinolin-4-one.
What is the SMILES notation for 3-(2-amino-5-oxo-4H-imidazole-3-carbonyl)-1-benzyl-6-bromoquinolin-4-one?
The canonical SMILES for 3-(2-amino-5-oxo-4H-imidazole-3-carbonyl)-1-benzyl-6-bromoquinolin-4-one is NC1=NC(=O)CN1C(=O)c1cn(Cc2ccccc2)c2ccc(Br)cc2c1=O.
What is the InChIKey of 3-(2-amino-5-oxo-4H-imidazole-3-carbonyl)-1-benzyl-6-bromoquinolin-4-one?
The InChIKey is SQNIPXOGLRKYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O3/c21-13-6-7-16-14(8-13)18(27)15(19(28)25-11-17(26)23-20(25)22)10-24(16)9-12-4-2-1-3-5-12/h1-8,10H,9,11H2,(H2,22,23,26).
What are the key properties of 3-(2-amino-5-oxo-4H-imidazole-3-carbonyl)-1-benzyl-6-bromoquinolin-4-one?
3-(2-amino-5-oxo-4H-imidazole-3-carbonyl)-1-benzyl-6-bromoquinolin-4-one has a molecular weight of 439.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-oxo-4H-imidazole-3-carbonyl)-1-benzyl-6-bromoquinolin-4-one is sourced from PubChem (CID 118585681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).