N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-6,8-dimethyl-2-(pyridin-2-yl)quinoline-4-carboxamide

N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-6,8-dimethyl-2-(pyridin-2-yl)quinoline-4-carboxamide

CAS: 713121-80-3

Formula: C28H25N5O4S

SMILES: CC1=NOC(NS(=O)(=O)C2=CC=C(NC(=O)C3=CC(=NC4=C(C)C=C(C)C=C34)C3=NC=CC=C3)C=C2)=C1C

IUPAC: N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-6,8-dimethyl-2-(pyridin-2-yl)quinoline-4-carboxamide

InChI: InChI=1S/C28H25N5O4S/c1-16-13-17(2)26-22(14-16)23(15-25(31-26)24-7-5-6-12-29-24)27(34)30-20-8-10-21(11-9-20)38(35,36)33-28-18(3)19(4)32-37-28/h5-15,33H,1-4H3,(H,30,34)

Composition: C (63.74%), H (4.78%), N (13.27%), O (12.13%), S (6.08%)

Molar Mass: 527.6

Atom Count: 63

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	527.162725479
Formal Charge	0
FSP3	0.14
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	HTSLEZOTMYUPLU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	144.99
Topological Polar Surface Area	127.08
Polarizability	57.51
Ring Count	5
Rotatable Bond Count	5

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