2-(3-chlorophenyl)-3,6-dimethylquinoline-4-carboxylic acid

2-(3-chlorophenyl)-3,6-dimethylquinoline-4-carboxylic acid

CAS: 438216-04-7

Formula: C18H14ClNO2

SMILES: CC1=CC2=C(C(O)=O)C(C)=C(N=C2C=C1)C1=CC(Cl)=CC=C1

IUPAC: 2-(3-chlorophenyl)-3,6-dimethylquinoline-4-carboxylic acid

InChI: InChI=1S/C18H14ClNO2/c1-10-6-7-15-14(8-10)16(18(21)22)11(2)17(20-15)12-4-3-5-13(19)9-12/h3-9H,1-2H3,(H,21,22)

Composition: C (69.35%), H (4.53%), Cl (11.37%), N (4.49%), O (10.26%)

Molar Mass: 311.77

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	311.0713064
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SWVVJZNWEGRKND-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	86.89
Topological Polar Surface Area	50.19
Polarizability	35.64
Ring Count	3
Rotatable Bond Count	2

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	438216-04-7		$101.60$101.60