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2-{[1,4'-bipiperidin]-1'-yl}-N-cycloheptyl-6,7-dimethoxyquinazolin-4-amine

2-{[1,4'-bipiperidin]-1'-yl}-N-cycloheptyl-6,7-dimethoxyquinazolin-4-amine

CAS: 864289-85-0

Formula: C27H41N5O2

SMILES: COC1=CC2=NC(=NC(NC3CCCCCC3)=C2C=C1OC)N1CCC(CC1)N1CCCCC1

IUPAC: 2-{[1,4'-bipiperidin]-1'-yl}-N-cycloheptyl-6,7-dimethoxyquinazolin-4-amine

InChI: InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)

Composition: C (69.34%), H (8.84%), N (14.98%), O (6.84%)

Molar Mass: 467.658

Atom Count: 75

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 467.32602558
Formal Charge 0
FSP3 0.7
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey WYVBISCFCHREDA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 139.82
Topological Polar Surface Area 62.75
Polarizability 54.01
Ring Count 5
Rotatable Bond Count 6

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