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

C21H22N4O3 — CID 135626546

IUPACN-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]-N-phenylbutanamide
SMILESCN(C(=O)CCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)c1ccccc1
InChIInChI=1S/C21H22N4O3/c1-24(16-6-3-2-4-7-16)20(27)8-5-11-28-17-9-10-18-15(12-17)13-25-14-19(26)23-21(25)22-18/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3,(H,22,23,26)
InChIKeyIZOOGGURDMZSGV-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.44
Rot. Bonds6

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

N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]-N-phenylbutanamide (PubChem CID 135626546) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]-N-phenylbutanamide.

Molecular Properties

Compound NameN-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]-N-phenylbutanamide
PubChem CID135626546
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]-N-phenylbutanamide
SMILESCN(C(=O)CCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)c1ccccc1
InChIInChI=1S/C21H22N4O3/c1-24(16-6-3-2-4-7-16)20(27)8-5-11-28-17-9-10-18-15(12-17)13-25-14-19(26)23-21(25)22-18/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3,(H,22,23,26)
InChIKeyIZOOGGURDMZSGV-UHFFFAOYSA-N
XLogP2.44
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
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-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]-N-phenylbutanamide 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-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]-N-phenylbutanamide?
The IUPAC name of N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]-N-phenylbutanamide (CID 135626546) is N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]-N-phenylbutanamide.
What is the SMILES notation for N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]-N-phenylbutanamide?
The canonical SMILES for N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]-N-phenylbutanamide is CN(C(=O)CCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)c1ccccc1.
What is the InChIKey of N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]-N-phenylbutanamide?
The InChIKey is IZOOGGURDMZSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-24(16-6-3-2-4-7-16)20(27)8-5-11-28-17-9-10-18-15(12-17)13-25-14-19(26)23-21(25)22-18/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3,(H,22,23,26).
What are the key properties of N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]-N-phenylbutanamide?
N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]-N-phenylbutanamide has a molecular weight of 378.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]-N-phenylbutanamide is sourced from PubChem (CID 135626546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).