5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid

C17H19FN2O4 — CID 67124246

IUPAC5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid
SMILESCC(NC(=O)OC(C)(C)C)c1nc2cccc(F)c2cc1C(=O)O
InChIInChI=1S/C17H19FN2O4/c1-9(19-16(23)24-17(2,3)4)14-11(15(21)22)8-10-12(18)6-5-7-13(10)20-14/h5-9H,1-4H3,(H,19,23)(H,21,22)
InChIKeyZSOJUWQBWBFXQB-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.66
Rot. Bonds3

About 5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid

5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid (PubChem CID 67124246) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid
PubChem CID67124246
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid
SMILESCC(NC(=O)OC(C)(C)C)c1nc2cccc(F)c2cc1C(=O)O
InChIInChI=1S/C17H19FN2O4/c1-9(19-16(23)24-17(2,3)4)14-11(15(21)22)8-10-12(18)6-5-7-13(10)20-14/h5-9H,1-4H3,(H,19,23)(H,21,22)
InChIKeyZSOJUWQBWBFXQB-UHFFFAOYSA-N
XLogP3.66
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1-phenanthridin-6-ylethyl)carbamate
CID 141472588
4-ethyl-5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid
CID 89466453
ethyl 8-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylate
CID 67124202
tert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3,1-benzoxazin-2-yl)ethyl]carbamate
CID 90063515
tert-butyl N-[1-(2-bromo-6-fluorophenyl)ethyl]carbamate
CID 155887563
tert-butyl N-[(1S)-1-(2-bromo-6-fluorophenyl)ethyl]carbamate
CID 162342858
tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate
CID 63787966
tert-butyl N-[(1S)-1-[3-(3,5-difluorophenyl)-8-fluoro-4-oxoquinazolin-2-yl]ethyl]carbamate
CID 90235481
5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-benzofuran-7-carboxylic acid
CID 174222257
tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate
CID 165085489
2-[(1S)-1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-5-fluoro-N-propan-2-ylquinoline-3-carboxamide
CID 56591736
tert-butyl N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate
CID 67595696

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid (CID 67124246) is 5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid is CC(NC(=O)OC(C)(C)C)c1nc2cccc(F)c2cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid?
The InChIKey is ZSOJUWQBWBFXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c1-9(19-16(23)24-17(2,3)4)14-11(15(21)22)8-10-12(18)6-5-7-13(10)20-14/h5-9H,1-4H3,(H,19,23)(H,21,22).
What are the key properties of 5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid?
5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid has a molecular weight of 334.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid is sourced from PubChem (CID 67124246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).