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Belumosudil Impurity 37

CAT: 1299-RM-B235037-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-B235037-01Size:10 mg
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CAS Number
2121561-39-3
Synonyms
N-isopropyl-2- (3- (4-oxo-3,4-dihydroquinazolin-2-yl) phenoxy) acetamide
Molecular Formula
C19H19N3O3
Molecular Weight
337.38
Target Alternative Name
Belumosudil

Chemical Information

N-Isopropyl-2-(3-(4-oxo-3,4-dihydroquinazolin-2-yl)phenoxy)acetamide
CAS Number2121561-39-3
PubChem CID168448038
IUPAC Name2-[3-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-propan-2-ylacetamide
Molecular FormulaC19H19N3O3
Molecular Weight337.4
XLogP2.5
Topological Polar Surface Area79.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity532
SMILES
CC(C)NC(=O)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C19H19N3O3/c1-12(2)20-17(23)11-25-14-7-5-6-13(10-14)18-21-16-9-4-3-8-15(16)19(24)22-18/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKey
GCQOPGCYUDSLFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Isopropyl-2-(3-(4-oxo-3,4-dihydroquinazolin-2-yl)phenoxy)acetamide
CAS: 2121561-39-3
CID: 168448038
Formula: C19H19N3O3
MW: 337.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.4
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass337.14264148
Monoisotopic Mass337.14264148
Topological Polar Surface Area79.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity532
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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