7-[(6-methoxy-2-oxo-3-propan-2-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptyl acetate

C23H33N3O5 — CID 135668159

IUPAC7-[(6-methoxy-2-oxo-3-propan-2-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptyl acetate
SMILESCOc1c(OCCCCCCCOC(C)=O)ccc2c1CN1C(=N2)NC(=O)C1C(C)C
InChIInChI=1S/C23H33N3O5/c1-15(2)20-22(28)25-23-24-18-10-11-19(21(29-4)17(18)14-26(20)23)31-13-9-7-5-6-8-12-30-16(3)27/h10-11,15,20H,5-9,12-14H2,1-4H3,(H,24,25,28)
InChIKeyOIVDBLNCOOQUQY-UHFFFAOYSA-N
MW431.53 g/mol
LogP3.55
Rot. Bonds11

About 7-[(6-methoxy-2-oxo-3-propan-2-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptyl acetate

7-[(6-methoxy-2-oxo-3-propan-2-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptyl acetate (PubChem CID 135668159) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is 7-[(6-methoxy-2-oxo-3-propan-2-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptyl acetate.

Molecular Properties

Compound Name7-[(6-methoxy-2-oxo-3-propan-2-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptyl acetate
PubChem CID135668159
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC Name7-[(6-methoxy-2-oxo-3-propan-2-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptyl acetate
SMILESCOc1c(OCCCCCCCOC(C)=O)ccc2c1CN1C(=N2)NC(=O)C1C(C)C
InChIInChI=1S/C23H33N3O5/c1-15(2)20-22(28)25-23-24-18-10-11-19(21(29-4)17(18)14-26(20)23)31-13-9-7-5-6-8-12-30-16(3)27/h10-11,15,20H,5-9,12-14H2,1-4H3,(H,24,25,28)
InChIKeyOIVDBLNCOOQUQY-UHFFFAOYSA-N
XLogP3.55
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-ethyl-6-methoxy-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate
CID 135668081
7-(3-hydroxypropoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667879
8-[(3-benzyl-6-chloro-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]octyl acetate
CID 135667857
3-[[6-chloro-3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]propyl acetate
CID 135667827
7-(5-imidazol-1-ylpentoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667667
2-[7-(3-imidazol-1-ylpropoxy)-6-methoxy-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide
CID 135667935
3-benzyl-7-(7-imidazol-1-ylheptoxy)-6-methoxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135668148
7-(5-hydroxypentoxy)-3-propan-2-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667659
6-chloro-3-ethyl-7-(4-hydroxybutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667715
3-[(3-benzyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate
CID 135667990
7-(2-imidazol-1-ylethoxy)-6-methoxy-3-phenyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135668005
2-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]ethyl acetate
CID 135667926

Frequently Asked Questions

What is the IUPAC name of 7-[(6-methoxy-2-oxo-3-propan-2-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptyl acetate?
The IUPAC name of 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) is 7-[(6-methoxy-2-oxo-3-propan-2-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptyl acetate.
What is the SMILES notation for 7-[(6-methoxy-2-oxo-3-propan-2-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptyl acetate?
The canonical SMILES for 7-[(6-methoxy-2-oxo-3-propan-2-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptyl acetate is COc1c(OCCCCCCCOC(C)=O)ccc2c1CN1C(=N2)NC(=O)C1C(C)C.
What is the InChIKey of 7-[(6-methoxy-2-oxo-3-propan-2-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptyl acetate?
The InChIKey is OIVDBLNCOOQUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-15(2)20-22(28)25-23-24-18-10-11-19(21(29-4)17(18)14-26(20)23)31-13-9-7-5-6-8-12-30-16(3)27/h10-11,15,20H,5-9,12-14H2,1-4H3,(H,24,25,28).
What are the key properties of 7-[(6-methoxy-2-oxo-3-propan-2-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptyl acetate?
7-[(6-methoxy-2-oxo-3-propan-2-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptyl acetate has a molecular weight of 431.53 g/mol, XLogP of 3.55, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-methoxy-2-oxo-3-propan-2-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptyl acetate is sourced from PubChem (CID 135668159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).