4-[(2-fluoro-4-methylphenyl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methoxycinnoline-3-carboxamide

4-[(2-fluoro-4-methylphenyl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methoxycinnoline-3-carboxamide

CAS: 1041852-85-0

Formula: C23H27FN6O3

SMILES: COC1=C(C=C2C(NC3=CC=C(C)C=C3F)=C(N=NC2=C1)C(N)=O)N1CCN(CCO)CC1

IUPAC: 4-[(2-fluoro-4-methylphenyl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methoxycinnoline-3-carboxamide

InChI: InChI=1S/C23H27FN6O3/c1-14-3-4-17(16(24)11-14)26-21-15-12-19(30-7-5-29(6-8-30)9-10-31)20(33-2)13-18(15)27-28-22(21)23(25)32/h3-4,11-13,31H,5-10H2,1-2H3,(H2,25,32)(H,26,27)

Composition: C (60.78%), H (5.99%), F (4.18%), N (18.49%), O (10.56%)

Molar Mass: 454.506

Atom Count: 60

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	454.212866916
Formal Charge	0
FSP3	0.35
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
InChIKey	CPDGCAFPSYOTGO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	125.53
Topological Polar Surface Area	116.84
Polarizability	47.19
Ring Count	4
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	1041852-85-0		$237.73-$1,850.61$237.73$371.50$742.23$1,178.70$1,850.61