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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]quinoline-4-carbonyl]amino]acetic acid
CID 146810072
tert-butyl 2-[[7-(trifluoromethyl)quinoline-4-carbonyl]amino]acetate
CID 170539767
2-[[6-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylcarbamoyl]triazol-1-yl]quinoline-4-carbonyl]amino]acetic acid
CID 166485840
2-[[6-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]-propylcarbamoyl]triazol-1-yl]quinoline-4-carbonyl]amino]acetic acid
CID 175539322
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-methoxypropan-2-yl)quinoline-4-carboxamide
CID 170633400
2-[[6-(trifluoromethyl)quinolin-4-yl]amino]acetamide
CID 141322057
2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid
CID 115034955
lithium 2-[[6-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]quinoline-4-carbonyl]amino]acetate
CID 169159661
tert-butyl 2-[(7-ethoxyquinoline-4-carbonyl)amino]acetate
CID 174250162
tert-butyl 1-[4-[(2-methoxy-2-oxoethyl)carbamoyl]quinolin-6-yl]triazole-4-carboxylate
CID 166485702
6-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid
CID 175216449
2-[[7-(2-oxo-2-phenylmethoxyethoxy)quinoline-4-carbonyl]amino]acetic acid
CID 170747979

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).