2-(4-propylphenyl)quinoline-4-carboxylic acid

2-(4-propylphenyl)quinoline-4-carboxylic acid

CAS: 350997-40-9

Formula: C19H17NO2

SMILES: CCCC1=CC=C(C=C1)C1=CC(C(O)=O)=C2C=CC=CC2=N1

IUPAC: 2-(4-propylphenyl)quinoline-4-carboxylic acid

InChI: InChI=1S/C19H17NO2/c1-2-5-13-8-10-14(11-9-13)18-12-16(19(21)22)15-6-3-4-7-17(15)20-18/h3-4,6-12H,2,5H2,1H3,(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	CMIVTPBNVBBQEH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	86.24
Topological Polar Surface Area	50.19
Polarizability	35.78
Ring Count	3
Rotatable Bond Count	4

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