6-chloro-7-fluoro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

C10H7ClFN3O — CID 171345689

IUPAC6-chloro-7-fluoro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESO=C1CN2Cc3c(ccc(F)c3Cl)N=C2N1
InChIInChI=1S/C10H7ClFN3O/c11-9-5-3-15-4-8(16)14-10(15)13-7(5)2-1-6(9)12/h1-2H,3-4H2,(H,13,14,16)
InChIKeyJKERKMVDMJATJW-UHFFFAOYSA-N
MW239.64 g/mol
LogP1.41
Rot. Bonds

About 6-chloro-7-fluoro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

6-chloro-7-fluoro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (PubChem CID 171345689) has the molecular formula C10H7ClFN3O and a molecular weight of 239.64 g/mol. Its IUPAC name is 6-chloro-7-fluoro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.

Molecular Properties

Compound Name6-chloro-7-fluoro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
PubChem CID171345689
Molecular FormulaC10H7ClFN3O
Molecular Weight239.64 g/mol
Exact Mass239.03
IUPAC Name6-chloro-7-fluoro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESO=C1CN2Cc3c(ccc(F)c3Cl)N=C2N1
InChIInChI=1S/C10H7ClFN3O/c11-9-5-3-15-4-8(16)14-10(15)13-7(5)2-1-6(9)12/h1-2H,3-4H2,(H,13,14,16)
InChIKeyJKERKMVDMJATJW-UHFFFAOYSA-N
XLogP1.41
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.64
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-7-fluoro-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

Anagrelide
CID 135409400
Anagrelide Hydrochloride
CID 135413494
Quazinone
CID 135418296
Anagrelide Hydrochloride Hydrate
CID 135565321
Imidazo[2,1-b]quinazolin-2(3H)-one, 1,5-dihydro-
CID 135485711
6-chloro-7-pyrrolidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135621702
Rafigrelide
CID 135564921
6-chloro-7-(dimethylamino)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135455582
6-chloro-7-(4-methylpiperazin-1-yl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 136002144
6-chloro-7-(4-methylpiperidin-1-yl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 136002145
6-chloro-7-(diethylamino)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 136002146
6-chloro-7-(2-methylpiperidin-1-yl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 136002147

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The IUPAC name of 6-chloro-7-fluoro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (CID 171345689) is 6-chloro-7-fluoro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.
What is the SMILES notation for 6-chloro-7-fluoro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The canonical SMILES for 6-chloro-7-fluoro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is O=C1CN2Cc3c(ccc(F)c3Cl)N=C2N1.
What is the InChIKey of 6-chloro-7-fluoro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The InChIKey is JKERKMVDMJATJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O/c11-9-5-3-15-4-8(16)14-10(15)13-7(5)2-1-6(9)12/h1-2H,3-4H2,(H,13,14,16).
What are the key properties of 6-chloro-7-fluoro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
6-chloro-7-fluoro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one has a molecular weight of 239.64 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is sourced from PubChem (CID 171345689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).