5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

CAS: 139051-78-8

Formula: C17H15Cl2N3O3

SMILES: OC(=O)C1CC(NC(=O)NC2=CC=CC=C2)C2=C(N1)C=C(Cl)C=C2Cl

IUPAC: 5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

InChI: InChI=1/C17H15Cl2N3O3/c18-9-6-11(19)15-12(7-9)21-14(16(23)24)8-13(15)22-17(25)20-10-4-2-1-3-5-10/h1-7,13-14,21H,8H2,(H,23,24)(H2,20,22,25)

Composition: C (53.70%), H (3.98%), Cl (18.65%), N (11.05%), O (12.62%)

Molar Mass: 380.23

Atom Count: 40

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	379.0490468
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
InChIKey	UCKHICKHGAOGAP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.31
Topological Polar Surface Area	90.46
Polarizability	36.23
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	139051-78-8		$78.66$78.66