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

C10H7Cl2N3O2 — CID 135424310

IUPAC6,7-dichloro-3-hydroxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESO=C1NC2=Nc3ccc(Cl)c(Cl)c3CN2C1O
InChIInChI=1S/C10H7Cl2N3O2/c11-5-1-2-6-4(7(5)12)3-15-9(17)8(16)14-10(15)13-6/h1-2,9,17H,3H2,(H,13,14,16)
InChIKeyKAXTUTDKZVOONF-UHFFFAOYSA-N
MW272.09 g/mol
LogP1.24
Rot. Bonds

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

6,7-dichloro-3-hydroxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (PubChem CID 135424310) has the molecular formula C10H7Cl2N3O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 6,7-dichloro-3-hydroxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.

Molecular Properties

Compound Name6,7-dichloro-3-hydroxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
PubChem CID135424310
Molecular FormulaC10H7Cl2N3O2
Molecular Weight272.09 g/mol
Exact Mass270.99
IUPAC Name6,7-dichloro-3-hydroxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESO=C1NC2=Nc3ccc(Cl)c(Cl)c3CN2C1O
InChIInChI=1S/C10H7Cl2N3O2/c11-5-1-2-6-4(7(5)12)3-15-9(17)8(16)14-10(15)13-6/h1-2,9,17H,3H2,(H,13,14,16)
InChIKeyKAXTUTDKZVOONF-UHFFFAOYSA-N
XLogP1.24
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Anagrelide
CID 135409400
Anagrelide Hydrochloride
CID 135413494
Anagrelide Hydrochloride Hydrate
CID 135565321
Rafigrelide
CID 135564921
7-chloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 136058108
Dechloro Anagrelide
CID 136125465
(2-Amino-5,6-dichloroquinazolin-3(4H)-yl)acetic acid
CID 46780247
2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetic acid;hydrochloride
CID 121229299
Anagrelide trichloro derivative
CID 135565383
6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one chloride
CID 135860278
6,7-dichloro-3,5-dihydro-1H-imidazo[1,2-a]quinazolin-2-one;hydrochloride
CID 20497235
N-(5,6-dichloro-1,4-dihydroquinazolin-2-yl)-2-oxoacetamide
CID 11550795

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-hydroxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The IUPAC name of 6,7-dichloro-3-hydroxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (CID 135424310) is 6,7-dichloro-3-hydroxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.
What is the SMILES notation for 6,7-dichloro-3-hydroxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The canonical SMILES for 6,7-dichloro-3-hydroxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is O=C1NC2=Nc3ccc(Cl)c(Cl)c3CN2C1O.
What is the InChIKey of 6,7-dichloro-3-hydroxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The InChIKey is KAXTUTDKZVOONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2/c11-5-1-2-6-4(7(5)12)3-15-9(17)8(16)14-10(15)13-6/h1-2,9,17H,3H2,(H,13,14,16).
What are the key properties of 6,7-dichloro-3-hydroxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
6,7-dichloro-3-hydroxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one has a molecular weight of 272.09 g/mol, XLogP of 1.24, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-hydroxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is sourced from PubChem (CID 135424310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).