methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-propan-2-ylamino]acetate

C17H19FN2O3 — CID 78877927

IUPACmethyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cc2ccc(F)cc2nc1C)C(C)C
InChIInChI=1S/C17H19FN2O3/c1-10(2)20(9-16(21)23-4)17(22)14-7-12-5-6-13(18)8-15(12)19-11(14)3/h5-8,10H,9H2,1-4H3
InChIKeyDICOTOCNJXXFOT-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.71
Rot. Bonds4

About methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-propan-2-ylamino]acetate

methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-propan-2-ylamino]acetate (PubChem CID 78877927) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-propan-2-ylamino]acetate
PubChem CID78877927
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Namemethyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cc2ccc(F)cc2nc1C)C(C)C
InChIInChI=1S/C17H19FN2O3/c1-10(2)20(9-16(21)23-4)17(22)14-7-12-5-6-13(18)8-15(12)19-11(14)3/h5-8,10H,9H2,1-4H3
InChIKeyDICOTOCNJXXFOT-UHFFFAOYSA-N
XLogP2.71
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-propan-2-ylamino]acetate (CID 78877927) is methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-propan-2-ylamino]acetate is COC(=O)CN(C(=O)c1cc2ccc(F)cc2nc1C)C(C)C.
What is the InChIKey of methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is DICOTOCNJXXFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-10(2)20(9-16(21)23-4)17(22)14-7-12-5-6-13(18)8-15(12)19-11(14)3/h5-8,10H,9H2,1-4H3.
What are the key properties of methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-propan-2-ylamino]acetate?
methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 318.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 78877927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).