ethyl 8-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylate

C19H23FN2O4 — CID 67124202

IUPACethyl 8-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cccc(F)c2nc1C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H23FN2O4/c1-6-25-17(23)13-10-12-8-7-9-14(20)16(12)22-15(13)11(2)21-18(24)26-19(3,4)5/h7-11H,6H2,1-5H3,(H,21,24)
InChIKeyXCVCAJFIMRRBQW-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.14
Rot. Bonds4

About ethyl 8-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylate

ethyl 8-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylate (PubChem CID 67124202) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 g/mol. Its IUPAC name is ethyl 8-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylate
PubChem CID67124202
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Nameethyl 8-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cccc(F)c2nc1C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H23FN2O4/c1-6-25-17(23)13-10-12-8-7-9-14(20)16(12)22-15(13)11(2)21-18(24)26-19(3,4)5/h7-11H,6H2,1-5H3,(H,21,24)
InChIKeyXCVCAJFIMRRBQW-UHFFFAOYSA-N
XLogP4.14
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylate?
The IUPAC name of ethyl 8-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylate (CID 67124202) is ethyl 8-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylate is CCOC(=O)c1cc2cccc(F)c2nc1C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 8-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylate?
The InChIKey is XCVCAJFIMRRBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4/c1-6-25-17(23)13-10-12-8-7-9-14(20)16(12)22-15(13)11(2)21-18(24)26-19(3,4)5/h7-11H,6H2,1-5H3,(H,21,24).
What are the key properties of ethyl 8-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylate?
ethyl 8-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylate has a molecular weight of 362.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylate is sourced from PubChem (CID 67124202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).