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Casein kinase 1d-IN-9

CAT: 0127-BUP08415-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP08415-01Size:5 mg
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CAS Number
854355-54-7
Purity
=98%
Smiles
N(CC1=CC=CC=N1)C=2C3=C(N=CC2)C=C(Cl)C=C3

Chemical Information

7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine
CAS Number854355-54-7
PubChem CID4791782
IUPAC Name7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine
Molecular FormulaC15H12ClN3
Molecular Weight269.73
XLogP3.3
Topological Polar Surface Area37.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity287
SMILES
C1=CC=NC(=C1)CNC2=C3C=CC(=CC3=NC=C2)Cl
InChI
InChI=1S/C15H12ClN3/c16-11-4-5-13-14(6-8-18-15(13)9-11)19-10-12-3-1-2-7-17-12/h1-9H,10H2,(H,18,19)
InChIKey
XXWZFWUXSRUTRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine
CAS: 854355-54-7
CID: 4791782
Formula: C15H12ClN3
MW: 269.73
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight269.73
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass269.0719751
Monoisotopic Mass269.0719751
Topological Polar Surface Area37.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity287
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