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

C22H24N4O4 — CID 135626363

IUPAC4-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]-N-methyl-N-phenylbutanamide
SMILESCN(C(=O)CCCOc1ccc2c(c1)CN1C(=N2)NC(=O)C1CO)c1ccccc1
InChIInChI=1S/C22H24N4O4/c1-25(16-6-3-2-4-7-16)20(28)8-5-11-30-17-9-10-18-15(12-17)13-26-19(14-27)21(29)24-22(26)23-18/h2-4,6-7,9-10,12,19,27H,5,8,11,13-14H2,1H3,(H,23,24,29)
InChIKeyPSPKCRUQMDVNJA-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.80
Rot. Bonds7

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

4-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]-N-methyl-N-phenylbutanamide (PubChem CID 135626363) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]-N-methyl-N-phenylbutanamide.

Molecular Properties

Compound Name4-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]-N-methyl-N-phenylbutanamide
PubChem CID135626363
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name4-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]-N-methyl-N-phenylbutanamide
SMILESCN(C(=O)CCCOc1ccc2c(c1)CN1C(=N2)NC(=O)C1CO)c1ccccc1
InChIInChI=1S/C22H24N4O4/c1-25(16-6-3-2-4-7-16)20(28)8-5-11-30-17-9-10-18-15(12-17)13-26-19(14-27)21(29)24-22(26)23-18/h2-4,6-7,9-10,12,19,27H,5,8,11,13-14H2,1H3,(H,23,24,29)
InChIKeyPSPKCRUQMDVNJA-UHFFFAOYSA-N
XLogP1.80
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibenzyl-4-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]butanamide
CID 135626259
2-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]ethyl acetate
CID 135667926
3-[(3-benzyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate
CID 135667990
3-(hydroxymethyl)-7-(8-imidazol-1-yloctoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667732
2-[(3-benzyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]ethyl acetate
CID 135667806
7-(2-hydroxyethoxy)-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667681
7-(5-hydroxypentoxy)-3-propan-2-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667659
N-cyclopentyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
CID 135626472
4-[[2-amino-3-[2-oxo-2-(N,2,6-trimethylanilino)ethyl]-4H-quinazolin-6-yl]oxy]-N-(6-hydroxyhexyl)-N-phenylbutanamide
CID 57312415
N-(cyclopentylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
CID 135626766
N-hexyl-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptanamide
CID 135626770
N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide
CID 135626550

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]-N-methyl-N-phenylbutanamide?
The IUPAC name of 4-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]-N-methyl-N-phenylbutanamide (CID 135626363) is 4-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]-N-methyl-N-phenylbutanamide.
What is the SMILES notation for 4-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]-N-methyl-N-phenylbutanamide?
The canonical SMILES for 4-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]-N-methyl-N-phenylbutanamide is CN(C(=O)CCCOc1ccc2c(c1)CN1C(=N2)NC(=O)C1CO)c1ccccc1.
What is the InChIKey of 4-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]-N-methyl-N-phenylbutanamide?
The InChIKey is PSPKCRUQMDVNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-25(16-6-3-2-4-7-16)20(28)8-5-11-30-17-9-10-18-15(12-17)13-26-19(14-27)21(29)24-22(26)23-18/h2-4,6-7,9-10,12,19,27H,5,8,11,13-14H2,1H3,(H,23,24,29).
What are the key properties of 4-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]-N-methyl-N-phenylbutanamide?
4-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]-N-methyl-N-phenylbutanamide has a molecular weight of 408.46 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]-N-methyl-N-phenylbutanamide is sourced from PubChem (CID 135626363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).