2-[[6-(2-fluoropropan-2-yl)quinoline-4-carbonyl]amino]acetic acid

C15H15FN2O3 — CID 170451406

IUPAC2-[[6-(2-fluoropropan-2-yl)quinoline-4-carbonyl]amino]acetic acid
SMILESCC(C)(F)c1ccc2nccc(C(=O)NCC(=O)O)c2c1
InChIInChI=1S/C15H15FN2O3/c1-15(2,16)9-3-4-12-11(7-9)10(5-6-17-12)14(21)18-8-13(19)20/h3-7H,8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyOEYDCYQHQFXOSW-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.25
Rot. Bonds4

About 2-[[6-(2-fluoropropan-2-yl)quinoline-4-carbonyl]amino]acetic acid

2-[[6-(2-fluoropropan-2-yl)quinoline-4-carbonyl]amino]acetic acid (PubChem CID 170451406) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[[6-(2-fluoropropan-2-yl)quinoline-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-(2-fluoropropan-2-yl)quinoline-4-carbonyl]amino]acetic acid
PubChem CID170451406
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name2-[[6-(2-fluoropropan-2-yl)quinoline-4-carbonyl]amino]acetic acid
SMILESCC(C)(F)c1ccc2nccc(C(=O)NCC(=O)O)c2c1
InChIInChI=1S/C15H15FN2O3/c1-15(2,16)9-3-4-12-11(7-9)10(5-6-17-12)14(21)18-8-13(19)20/h3-7H,8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyOEYDCYQHQFXOSW-UHFFFAOYSA-N
XLogP2.25
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-fluoropropan-2-yl)quinoline-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[6-(2-fluoropropan-2-yl)quinoline-4-carbonyl]amino]acetic acid (CID 170451406) is 2-[[6-(2-fluoropropan-2-yl)quinoline-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[6-(2-fluoropropan-2-yl)quinoline-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[6-(2-fluoropropan-2-yl)quinoline-4-carbonyl]amino]acetic acid is CC(C)(F)c1ccc2nccc(C(=O)NCC(=O)O)c2c1.
What is the InChIKey of 2-[[6-(2-fluoropropan-2-yl)quinoline-4-carbonyl]amino]acetic acid?
The InChIKey is OEYDCYQHQFXOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-15(2,16)9-3-4-12-11(7-9)10(5-6-17-12)14(21)18-8-13(19)20/h3-7H,8H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-[[6-(2-fluoropropan-2-yl)quinoline-4-carbonyl]amino]acetic acid?
2-[[6-(2-fluoropropan-2-yl)quinoline-4-carbonyl]amino]acetic acid has a molecular weight of 290.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-fluoropropan-2-yl)quinoline-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 170451406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).