2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid

C17H13FN2O2 — CID 110435469

IUPAC2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid
SMILESO=C(O)Cc1cc(Nc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C17H13FN2O2/c18-11-5-7-12(8-6-11)19-16-9-13(10-17(21)22)20-15-4-2-1-3-14(15)16/h1-9H,10H2,(H,19,20)(H,21,22)
InChIKeyACCHDWAHUOFJCN-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.74
Rot. Bonds4

About 2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid

2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid (PubChem CID 110435469) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid
PubChem CID110435469
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid
SMILESO=C(O)Cc1cc(Nc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C17H13FN2O2/c18-11-5-7-12(8-6-11)19-16-9-13(10-17(21)22)20-15-4-2-1-3-14(15)16/h1-9H,10H2,(H,19,20)(H,21,22)
InChIKeyACCHDWAHUOFJCN-UHFFFAOYSA-N
XLogP3.74
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid?
The IUPAC name of 2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid (CID 110435469) is 2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid is O=C(O)Cc1cc(Nc2ccc(F)cc2)c2ccccc2n1.
What is the InChIKey of 2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid?
The InChIKey is ACCHDWAHUOFJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c18-11-5-7-12(8-6-11)19-16-9-13(10-17(21)22)20-15-4-2-1-3-14(15)16/h1-9H,10H2,(H,19,20)(H,21,22).
What are the key properties of 2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid?
2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid has a molecular weight of 296.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid is sourced from PubChem (CID 110435469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).