2-(4-fluorophenyl)-2-[(2-piperidin-1-ylquinolin-4-yl)amino]acetic acid

C22H22FN3O2 — CID 118722388

IUPAC2-(4-fluorophenyl)-2-[(2-piperidin-1-ylquinolin-4-yl)amino]acetic acid
SMILESO=C(O)C(Nc1cc(N2CCCCC2)nc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C22H22FN3O2/c23-16-10-8-15(9-11-16)21(22(27)28)25-19-14-20(26-12-4-1-5-13-26)24-18-7-3-2-6-17(18)19/h2-3,6-11,14,21H,1,4-5,12-13H2,(H,24,25)(H,27,28)
InChIKeyDVCNBCXTTFFTCI-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.60
Rot. Bonds5

About 2-(4-fluorophenyl)-2-[(2-piperidin-1-ylquinolin-4-yl)amino]acetic acid

2-(4-fluorophenyl)-2-[(2-piperidin-1-ylquinolin-4-yl)amino]acetic acid (PubChem CID 118722388) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[(2-piperidin-1-ylquinolin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[(2-piperidin-1-ylquinolin-4-yl)amino]acetic acid
PubChem CID118722388
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name2-(4-fluorophenyl)-2-[(2-piperidin-1-ylquinolin-4-yl)amino]acetic acid
SMILESO=C(O)C(Nc1cc(N2CCCCC2)nc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C22H22FN3O2/c23-16-10-8-15(9-11-16)21(22(27)28)25-19-14-20(26-12-4-1-5-13-26)24-18-7-3-2-6-17(18)19/h2-3,6-11,14,21H,1,4-5,12-13H2,(H,24,25)(H,27,28)
InChIKeyDVCNBCXTTFFTCI-UHFFFAOYSA-N
XLogP4.60
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[(2-piperidin-1-ylquinolin-4-yl)amino]acetic acid?
The IUPAC name of 2-(4-fluorophenyl)-2-[(2-piperidin-1-ylquinolin-4-yl)amino]acetic acid (CID 118722388) is 2-(4-fluorophenyl)-2-[(2-piperidin-1-ylquinolin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[(2-piperidin-1-ylquinolin-4-yl)amino]acetic acid?
The canonical SMILES for 2-(4-fluorophenyl)-2-[(2-piperidin-1-ylquinolin-4-yl)amino]acetic acid is O=C(O)C(Nc1cc(N2CCCCC2)nc2ccccc12)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[(2-piperidin-1-ylquinolin-4-yl)amino]acetic acid?
The InChIKey is DVCNBCXTTFFTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-16-10-8-15(9-11-16)21(22(27)28)25-19-14-20(26-12-4-1-5-13-26)24-18-7-3-2-6-17(18)19/h2-3,6-11,14,21H,1,4-5,12-13H2,(H,24,25)(H,27,28).
What are the key properties of 2-(4-fluorophenyl)-2-[(2-piperidin-1-ylquinolin-4-yl)amino]acetic acid?
2-(4-fluorophenyl)-2-[(2-piperidin-1-ylquinolin-4-yl)amino]acetic acid has a molecular weight of 379.44 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[(2-piperidin-1-ylquinolin-4-yl)amino]acetic acid is sourced from PubChem (CID 118722388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).