2-[6-chloro-7-(5-imidazol-1-ylpentoxy)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide

C20H23ClN6O3 — CID 135668037

IUPAC2-[6-chloro-7-(5-imidazol-1-ylpentoxy)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide
SMILESNC(=O)CC1C(=O)NC2=Nc3ccc(OCCCCCn4ccnc4)c(Cl)c3CN21
InChIInChI=1S/C20H23ClN6O3/c21-18-13-11-27-15(10-17(22)28)19(29)25-20(27)24-14(13)4-5-16(18)30-9-3-1-2-7-26-8-6-23-12-26/h4-6,8,12,15H,1-3,7,9-11H2,(H2,22,28)(H,24,25,29)
InChIKeyLPUFXTFCYUBKFG-UHFFFAOYSA-N
MW430.90 g/mol
LogP1.96
Rot. Bonds9

About 2-[6-chloro-7-(5-imidazol-1-ylpentoxy)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide

2-[6-chloro-7-(5-imidazol-1-ylpentoxy)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide (PubChem CID 135668037) has the molecular formula C20H23ClN6O3 and a molecular weight of 430.90 g/mol. Its IUPAC name is 2-[6-chloro-7-(5-imidazol-1-ylpentoxy)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide.

Molecular Properties

Compound Name2-[6-chloro-7-(5-imidazol-1-ylpentoxy)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide
PubChem CID135668037
Molecular FormulaC20H23ClN6O3
Molecular Weight430.90 g/mol
Exact Mass430.15
IUPAC Name2-[6-chloro-7-(5-imidazol-1-ylpentoxy)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide
SMILESNC(=O)CC1C(=O)NC2=Nc3ccc(OCCCCCn4ccnc4)c(Cl)c3CN21
InChIInChI=1S/C20H23ClN6O3/c21-18-13-11-27-15(10-17(22)28)19(29)25-20(27)24-14(13)4-5-16(18)30-9-3-1-2-7-26-8-6-23-12-26/h4-6,8,12,15H,1-3,7,9-11H2,(H2,22,28)(H,24,25,29)
InChIKeyLPUFXTFCYUBKFG-UHFFFAOYSA-N
XLogP1.96
TPSA114.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 51.96
H-Bond Donors ≤ 52
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
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-6-chloro-7-(4-imidazol-1-ylbutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667787
3-benzyl-6-chloro-7-(2-imidazol-1-ylethoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667697
7-(5-imidazol-1-ylpentoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667667
3-benzyl-7-(7-imidazol-1-ylheptoxy)-6-methoxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135668148
8-[(3-benzyl-6-chloro-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]octyl acetate
CID 135667857
3-(hydroxymethyl)-7-(8-imidazol-1-yloctoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667732
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-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
3-[(3-ethyl-6-methoxy-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate
CID 135668081

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-7-(5-imidazol-1-ylpentoxy)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide?
The IUPAC name of 2-[6-chloro-7-(5-imidazol-1-ylpentoxy)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide (CID 135668037) is 2-[6-chloro-7-(5-imidazol-1-ylpentoxy)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide.
What is the SMILES notation for 2-[6-chloro-7-(5-imidazol-1-ylpentoxy)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide?
The canonical SMILES for 2-[6-chloro-7-(5-imidazol-1-ylpentoxy)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide is NC(=O)CC1C(=O)NC2=Nc3ccc(OCCCCCn4ccnc4)c(Cl)c3CN21.
What is the InChIKey of 2-[6-chloro-7-(5-imidazol-1-ylpentoxy)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide?
The InChIKey is LPUFXTFCYUBKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O3/c21-18-13-11-27-15(10-17(22)28)19(29)25-20(27)24-14(13)4-5-16(18)30-9-3-1-2-7-26-8-6-23-12-26/h4-6,8,12,15H,1-3,7,9-11H2,(H2,22,28)(H,24,25,29).
What are the key properties of 2-[6-chloro-7-(5-imidazol-1-ylpentoxy)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide?
2-[6-chloro-7-(5-imidazol-1-ylpentoxy)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide has a molecular weight of 430.90 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-7-(5-imidazol-1-ylpentoxy)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide is sourced from PubChem (CID 135668037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).