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IQO-X1

CAT: 0013-GTR19281200-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19281200-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IQO-X1 (Compound M4) is a metabolite of TAS-103.
CAS Number
188707-40-6
Smiles
O=C1C=2C=CC=CC2C=3C=4C=CC (O) =CC4N=C (NCCNC) C13
Molecular Formula
C19H17N3O2
Molecular Weight
319.36
Notes
For research use only.

Chemical Information

3-Hydroxy-6-[2-(methylamino)ethylamino]indeno[2,1-c]quinolin-7-one
CAS Number188707-40-6
PubChem CID135507179
IUPAC Name3-hydroxy-6-[2-(methylamino)ethylamino]indeno[2,1-c]quinolin-7-one
Molecular FormulaC19H17N3O2
Molecular Weight319.4
XLogP3.4
Topological Polar Surface Area74.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity472
SMILES
CNCCNC1=NC2=C(C=CC(=C2)O)C3=C1C(=O)C4=CC=CC=C43
InChI
InChI=1S/C19H17N3O2/c1-20-8-9-21-19-17-16(12-4-2-3-5-13(12)18(17)24)14-7-6-11(23)10-15(14)22-19/h2-7,10,20,23H,8-9H2,1H3,(H,21,22)
InChIKey
JFKGWHNEUGCQGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy-6-[2-(methylamino)ethylamino]indeno[2,1-c]quinolin-7-one
CAS: 188707-40-6
CID: 135507179
Formula: C19H17N3O2
MW: 319.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.4
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass319.132076794
Monoisotopic Mass319.132076794
Topological Polar Surface Area74.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity472
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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