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MS437

CAT: 0013-GTR19199915-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199915-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MS437
CAS Number
541535-31-3
Field of Research
Pharmacology & Drug Discovery
Smiles
CC (C) N (C (C) C) C (=O) C1=C2C=CC=CC2=NC (=C1) C1=CC=CC=C1
Molecular Formula
C22H24N2O
Molecular Weight
332.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-phenyl-N,N-di(propan-2-yl)quinoline-4-carboxamide
CAS Number541535-31-3
PubChem CID803083
IUPAC Name2-phenyl-N,N-di(propan-2-yl)quinoline-4-carboxamide
Molecular FormulaC22H24N2O
Molecular Weight332.4
XLogP4.9
Topological Polar Surface Area33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity433
SMILES
CC(C)N(C(C)C)C(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C22H24N2O/c1-15(2)24(16(3)4)22(25)19-14-21(17-10-6-5-7-11-17)23-20-13-9-8-12-18(19)20/h5-16H,1-4H3
InChIKey
LXECNSUVDZQPHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-phenyl-N,N-di(propan-2-yl)quinoline-4-carboxamide
CAS: 541535-31-3
CID: 803083
Formula: C22H24N2O
MW: 332.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.4
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass332.188863393
Monoisotopic Mass332.188863393
Topological Polar Surface Area33.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity433
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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