(3R)-6-chloro-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

C11H10ClN3O — CID 135418296

IUPAC(3R)-6-chloro-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESC[C@@H]1C(=O)NC2=Nc3cccc(Cl)c3CN21
InChIInChI=1S/C11H10ClN3O/c1-6-10(16)14-11-13-9-4-2-3-8(12)7(9)5-15(6)11/h2-4,6H,5H2,1H3,(H,13,14,16)/t6-/m1/s1
InChIKeyBHZFZYLBVSWUMT-ZCFIWIBFSA-N
MW235.67 g/mol
LogP1.66
Rot. Bonds

About (3R)-6-chloro-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

(3R)-6-chloro-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (PubChem CID 135418296) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is (3R)-6-chloro-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.

Molecular Properties

Compound Name(3R)-6-chloro-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
PubChem CID135418296
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name(3R)-6-chloro-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESC[C@@H]1C(=O)NC2=Nc3cccc(Cl)c3CN21
InChIInChI=1S/C11H10ClN3O/c1-6-10(16)14-11-13-9-4-2-3-8(12)7(9)5-15(6)11/h2-4,6H,5H2,1H3,(H,13,14,16)/t6-/m1/s1
InChIKeyBHZFZYLBVSWUMT-ZCFIWIBFSA-N
XLogP1.66
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Anagrelide
CID 135409400
Anagrelide Hydrochloride
CID 135413494
Anagrelide Hydrochloride Hydrate
CID 135565321
6-Methyl-1,2,3,5-tetrahydroimidazo(2,1-b)quinazolin-2-one hydrochloride
CID 135492314
7-Iodo-3,5-dihydroimidazo[2,1-b]quinazolin-2(1H)-one
CID 135583531
1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
CID 139421645
8-chloro-7-(dimethylamino)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 136002143
N-(3-chloro-2-methylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9503157
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

Frequently Asked Questions

What is the IUPAC name of (3R)-6-chloro-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The IUPAC name of (3R)-6-chloro-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (CID 135418296) is (3R)-6-chloro-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.
What is the SMILES notation for (3R)-6-chloro-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The canonical SMILES for (3R)-6-chloro-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is C[C@@H]1C(=O)NC2=Nc3cccc(Cl)c3CN21.
What is the InChIKey of (3R)-6-chloro-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The InChIKey is BHZFZYLBVSWUMT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-6-10(16)14-11-13-9-4-2-3-8(12)7(9)5-15(6)11/h2-4,6H,5H2,1H3,(H,13,14,16)/t6-/m1/s1.
What are the key properties of (3R)-6-chloro-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
(3R)-6-chloro-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one has a molecular weight of 235.67 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-chloro-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is sourced from PubChem (CID 135418296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).