3-benzyl-6-chloro-7-(2-hydroxyethoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

C19H18ClN3O3 — CID 135667782

IUPAC3-benzyl-6-chloro-7-(2-hydroxyethoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESO=C1NC2=Nc3ccc(OCCO)c(Cl)c3CN2C1Cc1ccccc1
InChIInChI=1S/C19H18ClN3O3/c20-17-13-11-23-15(10-12-4-2-1-3-5-12)18(25)22-19(23)21-14(13)6-7-16(17)26-9-8-24/h1-7,15,24H,8-11H2,(H,21,22,25)
InChIKeyKCSHGJOEYNMKFZ-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.26
Rot. Bonds5

About 3-benzyl-6-chloro-7-(2-hydroxyethoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

3-benzyl-6-chloro-7-(2-hydroxyethoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (PubChem CID 135667782) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 3-benzyl-6-chloro-7-(2-hydroxyethoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.

Molecular Properties

Compound Name3-benzyl-6-chloro-7-(2-hydroxyethoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
PubChem CID135667782
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name3-benzyl-6-chloro-7-(2-hydroxyethoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESO=C1NC2=Nc3ccc(OCCO)c(Cl)c3CN2C1Cc1ccccc1
InChIInChI=1S/C19H18ClN3O3/c20-17-13-11-23-15(10-12-4-2-1-3-5-12)18(25)22-19(23)21-14(13)6-7-16(17)26-9-8-24/h1-7,15,24H,8-11H2,(H,21,22,25)
InChIKeyKCSHGJOEYNMKFZ-UHFFFAOYSA-N
XLogP2.26
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-benzyl-6-chloro-7-(2-hydroxyethoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(3-benzyl-6-chloro-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]octyl acetate
CID 135667857
3-benzyl-6-chloro-7-(2-imidazol-1-ylethoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667697
3-benzyl-6-chloro-7-(4-imidazol-1-ylbutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667787
6-chloro-3-ethyl-7-(4-hydroxybutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667715
3-[[6-chloro-3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]propyl acetate
CID 135667827
2-[(3-benzyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]ethyl acetate
CID 135667806
3-benzyl-7-(7-imidazol-1-ylheptoxy)-6-methoxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135668148
3-[(3-benzyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]propyl acetate
CID 135667990
2-[6-chloro-7-(5-imidazol-1-ylpentoxy)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide
CID 135668037
6-chloro-7-(6-imidazol-1-ylhexoxy)-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667984
7-(3-hydroxypropoxy)-6-methoxy-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135667879
N,N-dibenzyl-4-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]butanamide
CID 135626259

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-chloro-7-(2-hydroxyethoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The IUPAC name of 3-benzyl-6-chloro-7-(2-hydroxyethoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (CID 135667782) is 3-benzyl-6-chloro-7-(2-hydroxyethoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.
What is the SMILES notation for 3-benzyl-6-chloro-7-(2-hydroxyethoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The canonical SMILES for 3-benzyl-6-chloro-7-(2-hydroxyethoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is O=C1NC2=Nc3ccc(OCCO)c(Cl)c3CN2C1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-chloro-7-(2-hydroxyethoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The InChIKey is KCSHGJOEYNMKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-17-13-11-23-15(10-12-4-2-1-3-5-12)18(25)22-19(23)21-14(13)6-7-16(17)26-9-8-24/h1-7,15,24H,8-11H2,(H,21,22,25).
What are the key properties of 3-benzyl-6-chloro-7-(2-hydroxyethoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
3-benzyl-6-chloro-7-(2-hydroxyethoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one has a molecular weight of 371.82 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-chloro-7-(2-hydroxyethoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is sourced from PubChem (CID 135667782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).