2-(4-{bicyclo[2.2.2]octa-2,5-diene-2-carbonyl}piperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine

2-(4-{bicyclo[2.2.2]octa-2,5-diene-2-carbonyl}piperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine

CAS: 107021-36-3

Formula: C23H27N5O3

SMILES: COC1=CC2=NC(=NC(N)=C2C=C1OC)N1CCN(CC1)C(=O)C1=CC2CCC1C=C2

IUPAC: 2-(4-{bicyclo[2.2.2]octa-2,5-diene-2-carbonyl}piperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine

InChI: InChI=1/C23H27N5O3/c1-30-19-12-17-18(13-20(19)31-2)25-23(26-21(17)24)28-9-7-27(8-10-28)22(29)16-11-14-3-5-15(16)6-4-14/h3,5,11-15H,4,6-10H2,1-2H3,(H2,24,25,26)

Composition: C (65.54%), H (6.46%), N (16.62%), O (11.39%)

Molar Mass: 421.501

Atom Count: 58

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	421.211389749
Formal Charge	0
FSP3	0.43
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	MXXRJJCMLRPJOF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	121.93
Topological Polar Surface Area	93.81
Polarizability	45.83
Ring Count	5
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	107021-36-3		$1,574.24-$3,526.25$1,574.24$3,526.25