1-{2-chloro-4-[(6-cyano-7-methoxyquinolin-4-yl)oxy]phenyl}-3-cyclopropylurea

1-{2-chloro-4-[(6-cyano-7-methoxyquinolin-4-yl)oxy]phenyl}-3-cyclopropylurea

Formula: C21H17ClN4O3

SMILES: COC1=CC2=NC=CC(OC3=CC(Cl)=C(NC(=O)NC4CC4)C=C3)=C2C=C1C#N

IUPAC: 1-{2-chloro-4-[(6-cyano-7-methoxyquinolin-4-yl)oxy]phenyl}-3-cyclopropylurea

InChI: InChI=1S/C21H17ClN4O3/c1-28-20-10-18-15(8-12(20)11-23)19(6-7-24-18)29-14-4-5-17(16(22)9-14)26-21(27)25-13-2-3-13/h4-10,13H,2-3H2,1H3,(H2,25,26,27)

Composition: C (61.69%), H (4.19%), Cl (8.67%), N (13.70%), O (11.74%)

Molar Mass: 408.84

Atom Count: 46

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	408.0989181
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	CKIBVUCMZIZNRC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.86
Topological Polar Surface Area	96.27
Polarizability	42.47
Ring Count	4
Rotatable Bond Count	5

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C21H17ClN4O3		Quote Only