3-[(3-benzyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate

C22H23N3O4 — CID 135667990

IUPAC3-[(3-benzyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate
SMILESCC(=O)OCCCOc1ccc2c(c1)CN1C(=N2)NC(=O)C1Cc1ccccc1
InChIInChI=1S/C22H23N3O4/c1-15(26)28-10-5-11-29-18-8-9-19-17(13-18)14-25-20(21(27)24-22(25)23-19)12-16-6-3-2-4-7-16/h2-4,6-9,13,20H,5,10-12,14H2,1H3,(H,23,24,27)
InChIKeyIZULVDFWMRCMEE-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.56
Rot. Bonds7

About 3-[(3-benzyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate

3-[(3-benzyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate (PubChem CID 135667990) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 3-[(3-benzyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate.

Molecular Properties

Compound Name3-[(3-benzyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate
PubChem CID135667990
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name3-[(3-benzyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate
SMILESCC(=O)OCCCOc1ccc2c(c1)CN1C(=N2)NC(=O)C1Cc1ccccc1
InChIInChI=1S/C22H23N3O4/c1-15(26)28-10-5-11-29-18-8-9-19-17(13-18)14-25-20(21(27)24-22(25)23-19)12-16-6-3-2-4-7-16/h2-4,6-9,13,20H,5,10-12,14H2,1H3,(H,23,24,27)
InChIKeyIZULVDFWMRCMEE-UHFFFAOYSA-N
XLogP2.56
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-benzyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]ethyl acetate
CID 135667806
2-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]ethyl acetate
CID 135667926
8-[(3-benzyl-6-chloro-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]octyl acetate
CID 135667857
N,N-dibenzyl-4-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]butanamide
CID 135626259
4-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]-N-methyl-N-phenylbutanamide
CID 135626363
3-[[6-chloro-3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]propyl acetate
CID 135667827
7-(2-hydroxyethoxy)-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667681
3-benzyl-6-chloro-7-(2-hydroxyethoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667782
7-(5-hydroxypentoxy)-3-propan-2-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667659
3-benzyl-7-(7-imidazol-1-ylheptoxy)-6-methoxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135668148
3-benzyl-6-chloro-7-(4-imidazol-1-ylbutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667787
7-[(6-methoxy-2-oxo-3-propan-2-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptyl acetate
CID 135668159

Frequently Asked Questions

What is the IUPAC name of 3-[(3-benzyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate?
The IUPAC name of 3-[(3-benzyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate (CID 135667990) is 3-[(3-benzyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate.
What is the SMILES notation for 3-[(3-benzyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate?
The canonical SMILES for 3-[(3-benzyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate is CC(=O)OCCCOc1ccc2c(c1)CN1C(=N2)NC(=O)C1Cc1ccccc1.
What is the InChIKey of 3-[(3-benzyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate?
The InChIKey is IZULVDFWMRCMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-15(26)28-10-5-11-29-18-8-9-19-17(13-18)14-25-20(21(27)24-22(25)23-19)12-16-6-3-2-4-7-16/h2-4,6-9,13,20H,5,10-12,14H2,1H3,(H,23,24,27).
What are the key properties of 3-[(3-benzyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate?
3-[(3-benzyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate has a molecular weight of 393.44 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-benzyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate is sourced from PubChem (CID 135667990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).