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K-756

CAT: 0926-FFA01740-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FFA01740-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
130017-40-2
MDL Number
MFCD30537546
Smiles
COC1=C (C=C2C (=C1) C (=NC=N2) N3CCC (CC3) CN4CC5=CC=CC=C5NC4=O) OC
Molecular Formula
C24H27N5O3
Molecular Weight
433.5 g/mol
Controlled
No

Chemical Information

3-((1-(6,7-Dimethoxy-4-quinazolinyl)-4-piperidinyl)methyl)-3,4-dihydro-2(1H)-quinazolinone
CAS Number130017-40-2
PubChem CID14668434
IUPAC Name3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one
Molecular FormulaC24H27N5O3
Molecular Weight433.5
XLogP3.1
Topological Polar Surface Area79.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity643
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)N3CCC(CC3)CN4CC5=CC=CC=C5NC4=O)OC
InChI
InChI=1S/C24H27N5O3/c1-31-21-11-18-20(12-22(21)32-2)25-15-26-23(18)28-9-7-16(8-10-28)13-29-14-17-5-3-4-6-19(17)27-24(29)30/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,27,30)
InChIKey
GWXCGEJJQFHPPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((1-(6,7-Dimethoxy-4-quinazolinyl)-4-piperidinyl)methyl)-3,4-dihydro-2(1H)-quinazolinone
CAS: 130017-40-2
CID: 14668434
Formula: C24H27N5O3
MW: 433.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.5
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass433.21138974
Monoisotopic Mass433.21138974
Topological Polar Surface Area79.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity643
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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