3-(1-cyano-1-methylethyl)-N-{4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl}benzamide

3-(1-cyano-1-methylethyl)-N-{4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl}benzamide

CAS: 878739-06-1

Formula: C27H25N5O2

SMILES: CN1C=NC2=CC=C(NC3=C(C)C=CC(NC(=O)C4=CC(=CC=C4)C(C)(C)C#N)=C3)C=C2C1=O

IUPAC: 3-(1-cyano-1-methylethyl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide

InChI: InChI=1S/C27H25N5O2/c1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23/h5-14,16,30H,1-4H3,(H,31,33)

Composition: C (71.82%), H (5.58%), N (15.51%), O (7.09%)

Molar Mass: 451.53

Atom Count: 59

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	451.200825065
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	ZGBGPEDJXCYQPH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	136.22
Topological Polar Surface Area	97.59
Polarizability	49.12
Ring Count	4
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.85%	<7 Days	878739-06-1		$72.00-$359.98$72.00$113.14$226.27$359.98