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Belumosudil Impurity 42

CAT: 1299-RM-B235042-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-B235042-01Size:10 mg
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CAS Number
2121561-41-7
Synonyms
2- (3- (4-chloroquinazolin-2-yl) phenoxy) -N-isopropylacetamide
Molecular Formula
C19H18ClN3O2
Molecular Weight
355.82
Target Alternative Name
Belumosudil

Chemical Information

2-(3-(4-chloroquinazolin-2-yl)phenoxy)-N-isopropylacetamide
CAS Number2121561-41-7
PubChem CID169209474
IUPAC Name2-[3-(4-chloroquinazolin-2-yl)phenoxy]-N-propan-2-ylacetamide
Molecular FormulaC19H18ClN3O2
Molecular Weight355.8
XLogP4.6
Topological Polar Surface Area64.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity448
SMILES
CC(C)NC(=O)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)Cl
InChI
InChI=1S/C19H18ClN3O2/c1-12(2)21-17(24)11-25-14-7-5-6-13(10-14)19-22-16-9-4-3-8-15(16)18(20)23-19/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKey
AOBKFTMCGXUINH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-(4-chloroquinazolin-2-yl)phenoxy)-N-isopropylacetamide
CAS: 2121561-41-7
CID: 169209474
Formula: C19H18ClN3O2
MW: 355.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.8
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass355.1087545
Monoisotopic Mass355.1087545
Topological Polar Surface Area64.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity448
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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