N-(3-chloro-4-fluorophenyl)-7-[3-(morpholin-4-yl)propoxy]-6-nitroquinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-7-[3-(morpholin-4-yl)propoxy]-6-nitroquinazolin-4-amine

CAS: 267243-64-1

Formula: C21H21ClFN5O4

SMILES: FC1=CC=C(NC2=C3C=C(C(OCCCN4CCOCC4)=CC3=NC=N2)N(=O)=O)C=C1Cl

IUPAC: N-(3-chloro-4-fluorophenyl)-7-[3-(morpholin-4-yl)propoxy]-6-nitroquinazolin-4-amine

InChI: InChI=1S/C21H21ClFN5O4/c22-16-10-14(2-3-17(16)23)26-21-15-11-19(28(29)30)20(12-18(15)24-13-25-21)32-7-1-4-27-5-8-31-9-6-27/h2-3,10-13H,1,4-9H2,(H,24,25,26)

Composition: C (54.61%), H (4.58%), Cl (7.68%), F (4.11%), N (15.16%), O (13.86%)

Molar Mass: 461.88

Atom Count: 53

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	461.12661
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
InChIKey	QVZKEQDJKMFEDU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.37
Topological Polar Surface Area	105.33
Polarizability	45.33
Ring Count	4
Rotatable Bond Count	8

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	267243-64-1		$102.14-$803.26$102.14$170.24$290.03$803.26