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G9a-IN-1

CAT: 0607-BA4884-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4884-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1350752-07-6
Form
A solid
Molecular Formula
C24H36ClN5O2
Molecular Weight
462.03
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

2-chloro-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine
CAS Number1350752-07-6
PubChem CID53474404
IUPAC Name2-chloro-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
Molecular FormulaC24H36ClN5O2
Molecular Weight462.0
XLogP5
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity557
SMILES
CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)Cl
InChI
InChI=1S/C24H36ClN5O2/c1-17(2)30-12-7-18(8-13-30)26-23-19-15-21(31-3)22(16-20(19)27-24(25)28-23)32-14-6-11-29-9-4-5-10-29/h15-18H,4-14H2,1-3H3,(H,26,27,28)
InChIKey
GHTIAKXLWWMKSI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-chloro-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine
CAS: 1350752-07-6
CID: 53474404
Formula: C24H36ClN5O2
MW: 462.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.0
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass461.2557531
Monoisotopic Mass461.2557531
Topological Polar Surface Area62.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity557
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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