2-[4,6-difluoro-1-(2-hydroxyethyl)-2H-spiro[indole-3,4'-piperidin]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-[4,6-difluoro-1-(2-hydroxyethyl)-2H-spiro[indole-3,4'-piperidin]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

CAS: 2171386-10-8

Formula: C22H26F2N4O2

SMILES: OCCN1CC2(CCN(CC2)C2=NC3=C(CCCC3)C(=O)N2)C2=C(F)C=C(F)C=C12

IUPAC: 2-[4,6-difluoro-1-(2-hydroxyethyl)-1,2-dihydrospiro[indole-3,4'-piperidin]-1'-yl]-3,4,5,6,7,8-hexahydroquinazolin-4-one

InChI: InChI=1S/C22H26F2N4O2/c23-14-11-16(24)19-18(12-14)28(9-10-29)13-22(19)5-7-27(8-6-22)21-25-17-4-2-1-3-15(17)20(30)26-21/h11-12,29H,1-10,13H2,(H,25,26,30)

Composition: C (63.45%), H (6.29%), F (9.12%), N (13.45%), O (7.68%)

Molar Mass: 416.473

Atom Count: 56

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	416.202382419
Formal Charge	0
FSP3	0.55
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	FZQYCOUBRJEYBC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.64
Topological Polar Surface Area	68.17
Polarizability	40.81
Ring Count	5
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	2171386-10-8		$235.44-$2,822.16$235.44$387.55$696.37$1,169.53$1,881.19$2,822.16