3,6,8-trimethyl-2-phenylquinoline-4-carboxylic acid

3,6,8-trimethyl-2-phenylquinoline-4-carboxylic acid

CAS: 436089-40-6

Formula: C19H17NO2

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

IUPAC: 3,6,8-trimethyl-2-phenylquinoline-4-carboxylic acid

InChI: InChI=1S/C19H17NO2/c1-11-9-12(2)17-15(10-11)16(19(21)22)13(3)18(20-17)14-7-5-4-6-8-14/h4-10H,1-3H3,(H,21,22)

Composition: C (78.33%), H (5.88%), N (4.81%), O (10.98%)

Molar Mass: 291.35

Atom Count: 39

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	291.125928791
Formal Charge	0
FSP3	0.16
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OTGGVDIKLFZRPO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	87.12
Topological Polar Surface Area	50.19
Polarizability	35.61
Ring Count	3
Rotatable Bond Count	2

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