4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-6-yl)oxy]-N-methyl-N-phenylbutanamide

C21H20N4O4 — CID 135626683

IUPAC4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-6-yl)oxy]-N-methyl-N-phenylbutanamide
SMILESCN(C(=O)CCCOc1cccc2nc3n(c(=O)c12)CC(=O)N3)c1ccccc1
InChIInChI=1S/C21H20N4O4/c1-24(14-7-3-2-4-8-14)18(27)11-6-12-29-16-10-5-9-15-19(16)20(28)25-13-17(26)23-21(25)22-15/h2-5,7-10H,6,11-13H2,1H3,(H,22,23,26)
InChIKeyKXKIOIZUXKXKEA-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.17
Rot. Bonds6

About 4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-6-yl)oxy]-N-methyl-N-phenylbutanamide

4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-6-yl)oxy]-N-methyl-N-phenylbutanamide (PubChem CID 135626683) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-6-yl)oxy]-N-methyl-N-phenylbutanamide.

Molecular Properties

Compound Name4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-6-yl)oxy]-N-methyl-N-phenylbutanamide
PubChem CID135626683
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-6-yl)oxy]-N-methyl-N-phenylbutanamide
SMILESCN(C(=O)CCCOc1cccc2nc3n(c(=O)c12)CC(=O)N3)c1ccccc1
InChIInChI=1S/C21H20N4O4/c1-24(14-7-3-2-4-8-14)18(27)11-6-12-29-16-10-5-9-15-19(16)20(28)25-13-17(26)23-21(25)22-15/h2-5,7-10H,6,11-13H2,1H3,(H,22,23,26)
InChIKeyKXKIOIZUXKXKEA-UHFFFAOYSA-N
XLogP2.17
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-6-yl)oxy]-N-methyl-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

Related Compounds

N-methyl-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]-N-phenylhexanamide
CID 135626702
4-(1,3-benzothiazol-2-yloxy)-N-methyl-N-phenylbutanamide
CID 163940335
N-cyclohexyl-7-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N-methylheptanamide
CID 135626606
4-chloro-N-methyl-N-phenylbutanamide
CID 16780864
N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide
CID 25298269
4-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]-N-methyl-N-phenylbutanamide
CID 135626363
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263
11-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-phenylundecanamide
CID 17035156
N-methyl-6-oxo-N-phenyl-6-piperidin-1-ylhexanamide
CID 10733166
N-benzyl-N-methyl-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide
CID 135626852
N-methyl-N-phenylnonanamide
CID 54136731
4-(2-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 137284798

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-6-yl)oxy]-N-methyl-N-phenylbutanamide?
The IUPAC name of 4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-6-yl)oxy]-N-methyl-N-phenylbutanamide (CID 135626683) is 4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-6-yl)oxy]-N-methyl-N-phenylbutanamide.
What is the SMILES notation for 4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-6-yl)oxy]-N-methyl-N-phenylbutanamide?
The canonical SMILES for 4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-6-yl)oxy]-N-methyl-N-phenylbutanamide is CN(C(=O)CCCOc1cccc2nc3n(c(=O)c12)CC(=O)N3)c1ccccc1.
What is the InChIKey of 4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-6-yl)oxy]-N-methyl-N-phenylbutanamide?
The InChIKey is KXKIOIZUXKXKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-24(14-7-3-2-4-8-14)18(27)11-6-12-29-16-10-5-9-15-19(16)20(28)25-13-17(26)23-21(25)22-15/h2-5,7-10H,6,11-13H2,1H3,(H,22,23,26).
What are the key properties of 4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-6-yl)oxy]-N-methyl-N-phenylbutanamide?
4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-6-yl)oxy]-N-methyl-N-phenylbutanamide has a molecular weight of 392.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-6-yl)oxy]-N-methyl-N-phenylbutanamide is sourced from PubChem (CID 135626683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).