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CPG-52364

CAT: 0127-BUP03039-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03039-01Size:5 mg
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CAS Number
1093135-60-4
Synonyms
CPG52364, CPG 52364
Purity
=98%
Smiles
N(CCN1CCOCC1)C=2C3=C(N=C(N2)C4=CC=C(C=C4)N5CCN(C)CC5)C=C(OC)C(OC)=C3

Chemical Information

6,7-diMethoxy-2-(4-(4-Methylpiperazin-1-yl)phenyl)-N-(2-Morpholinoethyl)quinazolin-4-aMine
CAS Number1093135-60-4
PubChem CID25105690
IUPAC Name6,7-dimethoxy-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
Molecular FormulaC27H36N6O3
Molecular Weight492.6
XLogP3.1
Topological Polar Surface Area75.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity651
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)C3=NC4=CC(=C(C=C4C(=N3)NCCN5CCOCC5)OC)OC
InChI
InChI=1S/C27H36N6O3/c1-31-10-12-33(13-11-31)21-6-4-20(5-7-21)26-29-23-19-25(35-3)24(34-2)18-22(23)27(30-26)28-8-9-32-14-16-36-17-15-32/h4-7,18-19H,8-17H2,1-3H3,(H,28,29,30)
InChIKey
TUOZJWZCVIRDKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,7-diMethoxy-2-(4-(4-Methylpiperazin-1-yl)phenyl)-N-(2-Morpholinoethyl)quinazolin-4-aMine
CAS: 1093135-60-4
CID: 25105690
Formula: C27H36N6O3
MW: 492.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.6
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass492.28488903
Monoisotopic Mass492.28488903
Topological Polar Surface Area75.2 Ų
Heavy Atom Count36
Formal Charge0
Complexity651
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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