7-(5-imidazol-1-ylpentoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

C20H25N5O3 — CID 135667667

IUPAC7-(5-imidazol-1-ylpentoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESCOc1c(OCCCCCn2ccnc2)ccc2c1CN1C(=N2)NC(=O)C1C
InChIInChI=1S/C20H25N5O3/c1-14-19(26)23-20-22-16-6-7-17(18(27-2)15(16)12-25(14)20)28-11-5-3-4-9-24-10-8-21-13-24/h6-8,10,13-14H,3-5,9,11-12H2,1-2H3,(H,22,23,26)
InChIKeyVQLUPYMXYXJMGS-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.46
Rot. Bonds8

About 7-(5-imidazol-1-ylpentoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

7-(5-imidazol-1-ylpentoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (PubChem CID 135667667) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 7-(5-imidazol-1-ylpentoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.

Molecular Properties

Compound Name7-(5-imidazol-1-ylpentoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
PubChem CID135667667
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name7-(5-imidazol-1-ylpentoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESCOc1c(OCCCCCn2ccnc2)ccc2c1CN1C(=N2)NC(=O)C1C
InChIInChI=1S/C20H25N5O3/c1-14-19(26)23-20-22-16-6-7-17(18(27-2)15(16)12-25(14)20)28-11-5-3-4-9-24-10-8-21-13-24/h6-8,10,13-14H,3-5,9,11-12H2,1-2H3,(H,22,23,26)
InChIKeyVQLUPYMXYXJMGS-UHFFFAOYSA-N
XLogP2.46
TPSA80.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.46
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

6-chloro-7-(6-imidazol-1-ylhexoxy)-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667984
3-benzyl-7-(7-imidazol-1-ylheptoxy)-6-methoxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135668148
2-[7-(3-imidazol-1-ylpropoxy)-6-methoxy-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide
CID 135667935
7-(3-hydroxypropoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667879
7-(2-imidazol-1-ylethoxy)-6-methoxy-3-phenyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135668005
3-hydroxy-7-(5-imidazol-1-ylpentoxy)-6-methoxy-1-methyl-3,5-dihydroimidazo[2,1-b]quinazolin-2-one
CID 70454954
2-[6-chloro-7-(5-imidazol-1-ylpentoxy)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide
CID 135668037
3-benzyl-6-chloro-7-(4-imidazol-1-ylbutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667787
3-(hydroxymethyl)-7-(8-imidazol-1-yloctoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667732
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
3-[(3-ethyl-6-methoxy-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate
CID 135668081
3-benzyl-6-chloro-7-(2-imidazol-1-ylethoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667697

Frequently Asked Questions

What is the IUPAC name of 7-(5-imidazol-1-ylpentoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The IUPAC name of 7-(5-imidazol-1-ylpentoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (CID 135667667) is 7-(5-imidazol-1-ylpentoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.
What is the SMILES notation for 7-(5-imidazol-1-ylpentoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The canonical SMILES for 7-(5-imidazol-1-ylpentoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is COc1c(OCCCCCn2ccnc2)ccc2c1CN1C(=N2)NC(=O)C1C.
What is the InChIKey of 7-(5-imidazol-1-ylpentoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The InChIKey is VQLUPYMXYXJMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-14-19(26)23-20-22-16-6-7-17(18(27-2)15(16)12-25(14)20)28-11-5-3-4-9-24-10-8-21-13-24/h6-8,10,13-14H,3-5,9,11-12H2,1-2H3,(H,22,23,26).
What are the key properties of 7-(5-imidazol-1-ylpentoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
7-(5-imidazol-1-ylpentoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one has a molecular weight of 383.45 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-imidazol-1-ylpentoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is sourced from PubChem (CID 135667667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).