2-chloro-6-methyl-N'-{4-methyl-3-[2-(quinolin-3-yl)ethynyl]benzoyl}benzohydrazide

2-chloro-6-methyl-N'-{4-methyl-3-[2-(quinolin-3-yl)ethynyl]benzoyl}benzohydrazide

CAS: 1388803-90-4

Formula: C27H20ClN3O2

SMILES: CC1=CC=C(C=C1C#CC1=CC2=CC=CC=C2N=C1)C(=O)NNC(=O)C1=C(C)C=CC=C1Cl

IUPAC: 2-chloro-6-methyl-N'-{4-methyl-3-[2-(quinolin-3-yl)ethynyl]benzoyl}benzohydrazide

InChI: InChI=1S/C27H20ClN3O2/c1-17-10-12-22(26(32)30-31-27(33)25-18(2)6-5-8-23(25)28)15-20(17)13-11-19-14-21-7-3-4-9-24(21)29-16-19/h3-10,12,14-16H,1-2H3,(H,30,32)(H,31,33)

Composition: C (71.44%), H (4.44%), Cl (7.81%), N (9.26%), O (7.05%)

Molar Mass: 453.93

Atom Count: 53

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	453.1244046
Formal Charge	0
FSP3	0.07
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ZQOBVMHBVWNVBG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	125.32
Topological Polar Surface Area	71.09
Polarizability	49.77
Ring Count	4
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	1388803-90-4		$199.24-$1,553.55$199.24$306.42$601.50$919.27$1,553.55