2-(7-fluoro-2-methoxyquinolin-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

C17H19FN2O5 — CID 158814860

IUPAC2-(7-fluoro-2-methoxyquinolin-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCOc1ccc2ccc(F)c(C(NC(=O)OC(C)(C)C)C(=O)O)c2n1
InChIInChI=1S/C17H19FN2O5/c1-17(2,3)25-16(23)20-14(15(21)22)12-10(18)7-5-9-6-8-11(24-4)19-13(9)12/h5-8,14H,1-4H3,(H,20,23)(H,21,22)
InChIKeyIVDGEIGODHFHEI-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.03
Rot. Bonds4

About 2-(7-fluoro-2-methoxyquinolin-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

2-(7-fluoro-2-methoxyquinolin-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (PubChem CID 158814860) has the molecular formula C17H19FN2O5 and a molecular weight of 350.35 g/mol. Its IUPAC name is 2-(7-fluoro-2-methoxyquinolin-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-(7-fluoro-2-methoxyquinolin-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
PubChem CID158814860
Molecular FormulaC17H19FN2O5
Molecular Weight350.35 g/mol
Exact Mass350.13
IUPAC Name2-(7-fluoro-2-methoxyquinolin-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCOc1ccc2ccc(F)c(C(NC(=O)OC(C)(C)C)C(=O)O)c2n1
InChIInChI=1S/C17H19FN2O5/c1-17(2,3)25-16(23)20-14(15(21)22)12-10(18)7-5-9-6-8-11(24-4)19-13(9)12/h5-8,14H,1-4H3,(H,20,23)(H,21,22)
InChIKeyIVDGEIGODHFHEI-UHFFFAOYSA-N
XLogP3.03
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2-methoxyquinolin-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The IUPAC name of 2-(7-fluoro-2-methoxyquinolin-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (CID 158814860) is 2-(7-fluoro-2-methoxyquinolin-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.
What is the SMILES notation for 2-(7-fluoro-2-methoxyquinolin-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The canonical SMILES for 2-(7-fluoro-2-methoxyquinolin-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is COc1ccc2ccc(F)c(C(NC(=O)OC(C)(C)C)C(=O)O)c2n1.
What is the InChIKey of 2-(7-fluoro-2-methoxyquinolin-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The InChIKey is IVDGEIGODHFHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O5/c1-17(2,3)25-16(23)20-14(15(21)22)12-10(18)7-5-9-6-8-11(24-4)19-13(9)12/h5-8,14H,1-4H3,(H,20,23)(H,21,22).
What are the key properties of 2-(7-fluoro-2-methoxyquinolin-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
2-(7-fluoro-2-methoxyquinolin-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid has a molecular weight of 350.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2-methoxyquinolin-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is sourced from PubChem (CID 158814860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).