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6-carbamoyl-4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinolin-1-ium-1-olate

6-carbamoyl-4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinolin-1-ium-1-olate

Formula: C21H19ClN4O5

SMILES: COC1=CC2=[N+]([O-])C=CC(OC3=CC(Cl)=C(NC(=O)NC4CC4)C=C3)=C2C=C1C(N)=O

IUPAC: 6-carbamoyl-4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinolin-1-ium-1-olate

InChI: InChI=1S/C21H19ClN4O5/c1-30-19-10-17-13(9-14(19)20(23)27)18(6-7-26(17)29)31-12-4-5-16(15(22)8-12)25-21(28)24-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,24,25,28)

Composition: C (56.96%), H (4.32%), Cl (8.00%), N (12.65%), O (18.06%)

Molar Mass: 442.86

Atom Count: 50

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 442.1043974
Formal Charge 0
FSP3 0.19
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey PLCPYTNTMUKPOL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 115.78
Topological Polar Surface Area 129.62
Polarizability 44
Ring Count 4
Rotatable Bond Count 6

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Purity LeadTime Formula UnitPrice
98% <10 Days C21H19ClN4O5 Quote Only