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QD-394

CAT: 0013-GTR19191354-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191354-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
QD-394
CAS Number
2132411-21-1
Field of Research
Immunology & Inflammation, Metabolism Research, Signal Transduction
Smiles
O=C1C=2C (C (=O) C=C1NC3=CC=C (C=C3) N4CCN (C) CC4) =NC=NC2
Molecular Formula
C19H19N5O2
Molecular Weight
349.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-[4-(4-Methylpiperazin-1-yl)anilino]quinazoline-5,8-dione
CAS Number2132411-21-1
PubChem CID130408099
IUPAC Name6-[4-(4-methylpiperazin-1-yl)anilino]quinazoline-5,8-dione
Molecular FormulaC19H19N5O2
Molecular Weight349.4
XLogP1.7
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity576
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=O)C4=NC=NC=C4C3=O
InChI
InChI=1S/C19H19N5O2/c1-23-6-8-24(9-7-23)14-4-2-13(3-5-14)22-16-10-17(25)18-15(19(16)26)11-20-12-21-18/h2-5,10-12,22H,6-9H2,1H3
InChIKey
INZGOHBCPALCGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-[4-(4-Methylpiperazin-1-yl)anilino]quinazoline-5,8-dione
CAS: 2132411-21-1
CID: 130408099
Formula: C19H19N5O2
MW: 349.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.4
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass349.15387487
Monoisotopic Mass349.15387487
Topological Polar Surface Area78.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity576
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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