methyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl-propylamino]acetate

C15H19FN2O5S — CID 55905067

IUPACmethyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C15H19FN2O5S/c1-3-6-18(9-15(20)23-2)24(21,22)13-7-10-4-5-14(19)17-12(10)8-11(13)16/h7-8H,3-6,9H2,1-2H3,(H,17,19)
InChIKeyAHQHAKBFZVBJBF-UHFFFAOYSA-N
MW358.39 g/mol
LogP1.28
Rot. Bonds6

About methyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl-propylamino]acetate

methyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl-propylamino]acetate (PubChem CID 55905067) has the molecular formula C15H19FN2O5S and a molecular weight of 358.39 g/mol. Its IUPAC name is methyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl-propylamino]acetate
PubChem CID55905067
Molecular FormulaC15H19FN2O5S
Molecular Weight358.39 g/mol
Exact Mass358.10
IUPAC Namemethyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C15H19FN2O5S/c1-3-6-18(9-15(20)23-2)24(21,22)13-7-10-4-5-14(19)17-12(10)8-11(13)16/h7-8H,3-6,9H2,1-2H3,(H,17,19)
InChIKeyAHQHAKBFZVBJBF-UHFFFAOYSA-N
XLogP1.28
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl-propylamino]acetate?
The IUPAC name of methyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl-propylamino]acetate (CID 55905067) is methyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl-propylamino]acetate.
What is the SMILES notation for methyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl-propylamino]acetate?
The canonical SMILES for methyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl-propylamino]acetate is CCCN(CC(=O)OC)S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of methyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl-propylamino]acetate?
The InChIKey is AHQHAKBFZVBJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O5S/c1-3-6-18(9-15(20)23-2)24(21,22)13-7-10-4-5-14(19)17-12(10)8-11(13)16/h7-8H,3-6,9H2,1-2H3,(H,17,19).
What are the key properties of methyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl-propylamino]acetate?
methyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl-propylamino]acetate has a molecular weight of 358.39 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl-propylamino]acetate is sourced from PubChem (CID 55905067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).