N-benzyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide

C22H24N4O3 — CID 135626541

IUPACN-benzyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
SMILESCN(Cc1ccccc1)C(=O)CCCOc1ccc2c(c1)CN1CC(=O)NC1=N2
InChIInChI=1S/C22H24N4O3/c1-25(13-16-6-3-2-4-7-16)21(28)8-5-11-29-18-9-10-19-17(12-18)14-26-15-20(27)24-22(26)23-19/h2-4,6-7,9-10,12H,5,8,11,13-15H2,1H3,(H,23,24,27)
InChIKeySTLROJSENJQWLD-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.44
Rot. Bonds7

About N-benzyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide

N-benzyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide (PubChem CID 135626541) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
PubChem CID135626541
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-benzyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
SMILESCN(Cc1ccccc1)C(=O)CCCOc1ccc2c(c1)CN1CC(=O)NC1=N2
InChIInChI=1S/C22H24N4O3/c1-25(13-16-6-3-2-4-7-16)21(28)8-5-11-29-18-9-10-19-17(12-18)14-26-15-20(27)24-22(26)23-19/h2-4,6-7,9-10,12H,5,8,11,13-15H2,1H3,(H,23,24,27)
InChIKeySTLROJSENJQWLD-UHFFFAOYSA-N
XLogP2.44
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-benzyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide 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 N-benzyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide?
The IUPAC name of N-benzyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide (CID 135626541) is N-benzyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide.
What is the SMILES notation for N-benzyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide?
The canonical SMILES for N-benzyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide is CN(Cc1ccccc1)C(=O)CCCOc1ccc2c(c1)CN1CC(=O)NC1=N2.
What is the InChIKey of N-benzyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide?
The InChIKey is STLROJSENJQWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-25(13-16-6-3-2-4-7-16)21(28)8-5-11-29-18-9-10-19-17(12-18)14-26-15-20(27)24-22(26)23-19/h2-4,6-7,9-10,12H,5,8,11,13-15H2,1H3,(H,23,24,27).
What are the key properties of N-benzyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide?
N-benzyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide has a molecular weight of 392.46 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide is sourced from PubChem (CID 135626541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).