2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid

C12H9FN2O3 — CID 110489772

IUPAC2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cnc2ccc(F)cc2c1
InChIInChI=1S/C12H9FN2O3/c13-9-1-2-10-7(4-9)3-8(5-14-10)12(18)15-6-11(16)17/h1-5H,6H2,(H,15,18)(H,16,17)
InChIKeyPLNKPQDSJXEIID-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.19
Rot. Bonds3

About 2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid

2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid (PubChem CID 110489772) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid
PubChem CID110489772
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cnc2ccc(F)cc2c1
InChIInChI=1S/C12H9FN2O3/c13-9-1-2-10-7(4-9)3-8(5-14-10)12(18)15-6-11(16)17/h1-5H,6H2,(H,15,18)(H,16,17)
InChIKeyPLNKPQDSJXEIID-UHFFFAOYSA-N
XLogP1.19
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoroquinoline-3-carbohydrazide
CID 119026646
6-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)quinoline-3-carboxamide
CID 146126137
6-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide
CID 110489843
6-fluoro-N-(oxan-4-yl)quinoline-3-carboxamide
CID 166186547
2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid
CID 175904627
cyclopropyl-(6-fluoroquinolin-3-yl)methanone
CID 134393278
6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide
CID 164633773
2-(thieno[3,2-b]pyridine-6-carbonylamino)acetic acid
CID 66952677
6-fluoro-N-methyl-N-phenylquinoline-3-carboxamide
CID 110489844
2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid
CID 82571590
2-(acridine-2-carbonylamino)acetic acid
CID 169198326
7-fluoro-N-(5-hydroxypentyl)quinoline-3-carboxamide
CID 110489754

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid (CID 110489772) is 2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1cnc2ccc(F)cc2c1.
What is the InChIKey of 2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid?
The InChIKey is PLNKPQDSJXEIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c13-9-1-2-10-7(4-9)3-8(5-14-10)12(18)15-6-11(16)17/h1-5H,6H2,(H,15,18)(H,16,17).
What are the key properties of 2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid?
2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid has a molecular weight of 248.21 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 110489772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).