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

C15H19N3O4 — CID 135667879

IUPAC7-(3-hydroxypropoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESCOc1c(OCCCO)ccc2c1CN1C(=N2)NC(=O)C1C
InChIInChI=1S/C15H19N3O4/c1-9-14(20)17-15-16-11-4-5-12(22-7-3-6-19)13(21-2)10(11)8-18(9)15/h4-5,9,19H,3,6-8H2,1-2H3,(H,16,17,20)
InChIKeyBIHGZJSXMPUCLV-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.78
Rot. Bonds5

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

7-(3-hydroxypropoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (PubChem CID 135667879) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 7-(3-hydroxypropoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.

Molecular Properties

Compound Name7-(3-hydroxypropoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
PubChem CID135667879
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name7-(3-hydroxypropoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESCOc1c(OCCCO)ccc2c1CN1C(=N2)NC(=O)C1C
InChIInChI=1S/C15H19N3O4/c1-9-14(20)17-15-16-11-4-5-12(22-7-3-6-19)13(21-2)10(11)8-18(9)15/h4-5,9,19H,3,6-8H2,1-2H3,(H,16,17,20)
InChIKeyBIHGZJSXMPUCLV-UHFFFAOYSA-N
XLogP0.78
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.78
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

7-(5-imidazol-1-ylpentoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667667
3-[(3-ethyl-6-methoxy-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate
CID 135668081
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
6-chloro-3-ethyl-7-(4-hydroxybutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667715
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-(2-hydroxyethoxy)-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667681
3-benzyl-7-(7-imidazol-1-ylheptoxy)-6-methoxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135668148
7-(2-imidazol-1-ylethoxy)-6-methoxy-3-phenyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135668005
6-chloro-7-(6-imidazol-1-ylhexoxy)-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667984
3-[[6-chloro-3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]propyl acetate
CID 135667827
3-benzyl-6-chloro-7-(2-hydroxyethoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667782
8-[(3-benzyl-6-chloro-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]octyl acetate
CID 135667857

Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxypropoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The IUPAC name of 7-(3-hydroxypropoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (CID 135667879) is 7-(3-hydroxypropoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.
What is the SMILES notation for 7-(3-hydroxypropoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The canonical SMILES for 7-(3-hydroxypropoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is COc1c(OCCCO)ccc2c1CN1C(=N2)NC(=O)C1C.
What is the InChIKey of 7-(3-hydroxypropoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The InChIKey is BIHGZJSXMPUCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-9-14(20)17-15-16-11-4-5-12(22-7-3-6-19)13(21-2)10(11)8-18(9)15/h4-5,9,19H,3,6-8H2,1-2H3,(H,16,17,20).
What are the key properties of 7-(3-hydroxypropoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
7-(3-hydroxypropoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one has a molecular weight of 305.33 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-hydroxypropoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is sourced from PubChem (CID 135667879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).