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2-(3-butoxyphenyl)-6-chloroquinoline-4-carboxylic acid

2-(3-butoxyphenyl)-6-chloroquinoline-4-carboxylic acid

CAS: 932841-45-7

Formula: C20H18ClNO3

SMILES: CCCCOC1=CC=CC(=C1)C1=NC2=CC=C(Cl)C=C2C(=C1)C(O)=O

IUPAC: 2-(3-butoxyphenyl)-6-chloroquinoline-4-carboxylic acid

InChI: InChI=1S/C20H18ClNO3/c1-2-3-9-25-15-6-4-5-13(10-15)19-12-17(20(23)24)16-11-14(21)7-8-18(16)22-19/h4-8,10-12H,2-3,9H2,1H3,(H,23,24)

Composition: C (67.51%), H (5.10%), Cl (9.96%), N (3.94%), O (13.49%)

Molar Mass: 355.82

Atom Count: 43

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 355.0975211
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey PVHARPPMEZZSJE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 97.14
Topological Polar Surface Area 59.42
Polarizability 40.14
Ring Count 3
Rotatable Bond Count 6

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