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MS8511

CAT: 0013-GTR19185307-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185307-01Size:25 mg
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Description
MS8511
CAS Number
2866408-21-9
Field of Research
Epigenetics & Chromatin
Smiles
N (C=1C2=C (C=C (OCCCN3CCCC3) C (OC) =C2) N=C (NC (C=C) =O) C1) C4CCN (C (C) C) CC4
Molecular Formula
C28H41N5O3
Molecular Weight
495.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[6-methoxy-4-[(1-propan-2-ylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinolin-2-yl]prop-2-enamide
CAS Number2866408-21-9
PubChem CID164512403
IUPAC NameN-[6-methoxy-4-[(1-propan-2-ylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinolin-2-yl]prop-2-enamide
Molecular FormulaC28H41N5O3
Molecular Weight495.7
XLogP4.5
Topological Polar Surface Area79
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity693
SMILES
CC(C)N1CCC(CC1)NC2=CC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)NC(=O)C=C
InChI
InChI=1S/C28H41N5O3/c1-5-28(34)31-27-19-24(29-21-9-14-33(15-10-21)20(2)3)22-17-25(35-4)26(18-23(22)30-27)36-16-8-13-32-11-6-7-12-32/h5,17-21H,1,6-16H2,2-4H3,(H2,29,30,31,34)
InChIKey
FNRUPVONTWZCGL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[6-methoxy-4-[(1-propan-2-ylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinolin-2-yl]prop-2-enamide
CAS: 2866408-21-9
CID: 164512403
Formula: C28H41N5O3
MW: 495.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.7
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass495.32094019
Monoisotopic Mass495.32094019
Topological Polar Surface Area79 Ų
Heavy Atom Count36
Formal Charge0
Complexity693
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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