ethyl 3-[(5-fluoroquinolin-8-yl)methyl-methylamino]propanoate

C16H19FN2O2 — CID 62013386

IUPACethyl 3-[(5-fluoroquinolin-8-yl)methyl-methylamino]propanoate
SMILESCCOC(=O)CCN(C)Cc1ccc(F)c2cccnc12
InChIInChI=1S/C16H19FN2O2/c1-3-21-15(20)8-10-19(2)11-12-6-7-14(17)13-5-4-9-18-16(12)13/h4-7,9H,3,8,10-11H2,1-2H3
InChIKeyOWGMHERTYXGMTG-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.76
Rot. Bonds6

About ethyl 3-[(5-fluoroquinolin-8-yl)methyl-methylamino]propanoate

ethyl 3-[(5-fluoroquinolin-8-yl)methyl-methylamino]propanoate (PubChem CID 62013386) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is ethyl 3-[(5-fluoroquinolin-8-yl)methyl-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5-fluoroquinolin-8-yl)methyl-methylamino]propanoate
PubChem CID62013386
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Nameethyl 3-[(5-fluoroquinolin-8-yl)methyl-methylamino]propanoate
SMILESCCOC(=O)CCN(C)Cc1ccc(F)c2cccnc12
InChIInChI=1S/C16H19FN2O2/c1-3-21-15(20)8-10-19(2)11-12-6-7-14(17)13-5-4-9-18-16(12)13/h4-7,9H,3,8,10-11H2,1-2H3
InChIKeyOWGMHERTYXGMTG-UHFFFAOYSA-N
XLogP2.76
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-fluoroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 60501294
ethyl 3-[(2,3-difluorophenyl)methyl-methylamino]propanoate
CID 62012016
ethyl 3-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]propanoate
CID 103299959
ethyl 3-[(3,4-difluorophenyl)methyl-methylamino]propanoate
CID 113221274
(5-fluoroquinolin-8-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 55649316
ethyl 3-[(3-bromo-4-fluorophenyl)methyl-methylamino]propanoate
CID 62011631
methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate
CID 62010696
ethyl 3-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]propanoate
CID 63380921
ethyl 2-(4-fluoronaphthalen-1-yl)acetate
CID 131631742
ethyl 3-[(5-amino-7-fluoroquinolin-8-yl)amino]propanoate
CID 83164635
ethyl 3-[[2-(2-methoxy-2-oxoethyl)phenyl]methyl-methylamino]propanoate
CID 115463319
ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
CID 19816767

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-fluoroquinolin-8-yl)methyl-methylamino]propanoate?
The IUPAC name of ethyl 3-[(5-fluoroquinolin-8-yl)methyl-methylamino]propanoate (CID 62013386) is ethyl 3-[(5-fluoroquinolin-8-yl)methyl-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(5-fluoroquinolin-8-yl)methyl-methylamino]propanoate?
The canonical SMILES for ethyl 3-[(5-fluoroquinolin-8-yl)methyl-methylamino]propanoate is CCOC(=O)CCN(C)Cc1ccc(F)c2cccnc12.
What is the InChIKey of ethyl 3-[(5-fluoroquinolin-8-yl)methyl-methylamino]propanoate?
The InChIKey is OWGMHERTYXGMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-3-21-15(20)8-10-19(2)11-12-6-7-14(17)13-5-4-9-18-16(12)13/h4-7,9H,3,8,10-11H2,1-2H3.
What are the key properties of ethyl 3-[(5-fluoroquinolin-8-yl)methyl-methylamino]propanoate?
ethyl 3-[(5-fluoroquinolin-8-yl)methyl-methylamino]propanoate has a molecular weight of 290.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-fluoroquinolin-8-yl)methyl-methylamino]propanoate is sourced from PubChem (CID 62013386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).