methyl 2-[[2-(4-bromophenyl)-6-fluoroquinolin-4-yl]methylamino]acetate

C19H16BrFN2O2 — CID 70327864

IUPACmethyl 2-[[2-(4-bromophenyl)-6-fluoroquinolin-4-yl]methylamino]acetate
SMILESCOC(=O)CNCc1cc(-c2ccc(Br)cc2)nc2ccc(F)cc12
InChIInChI=1S/C19H16BrFN2O2/c1-25-19(24)11-22-10-13-8-18(12-2-4-14(20)5-3-12)23-17-7-6-15(21)9-16(13)17/h2-9,22H,10-11H2,1H3
InChIKeySCJCIFWYDRUKRT-UHFFFAOYSA-N
MW403.25 g/mol
LogP4.07
Rot. Bonds5

About methyl 2-[[2-(4-bromophenyl)-6-fluoroquinolin-4-yl]methylamino]acetate

methyl 2-[[2-(4-bromophenyl)-6-fluoroquinolin-4-yl]methylamino]acetate (PubChem CID 70327864) has the molecular formula C19H16BrFN2O2 and a molecular weight of 403.25 g/mol. Its IUPAC name is methyl 2-[[2-(4-bromophenyl)-6-fluoroquinolin-4-yl]methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-bromophenyl)-6-fluoroquinolin-4-yl]methylamino]acetate
PubChem CID70327864
Molecular FormulaC19H16BrFN2O2
Molecular Weight403.25 g/mol
Exact Mass402.04
IUPAC Namemethyl 2-[[2-(4-bromophenyl)-6-fluoroquinolin-4-yl]methylamino]acetate
SMILESCOC(=O)CNCc1cc(-c2ccc(Br)cc2)nc2ccc(F)cc12
InChIInChI=1S/C19H16BrFN2O2/c1-25-19(24)11-22-10-13-8-18(12-2-4-14(20)5-3-12)23-17-7-6-15(21)9-16(13)17/h2-9,22H,10-11H2,1H3
InChIKeySCJCIFWYDRUKRT-UHFFFAOYSA-N
XLogP4.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.25
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-bromophenyl)-6-fluoroquinolin-4-yl]methylamino]acetate?
The IUPAC name of methyl 2-[[2-(4-bromophenyl)-6-fluoroquinolin-4-yl]methylamino]acetate (CID 70327864) is methyl 2-[[2-(4-bromophenyl)-6-fluoroquinolin-4-yl]methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(4-bromophenyl)-6-fluoroquinolin-4-yl]methylamino]acetate?
The canonical SMILES for methyl 2-[[2-(4-bromophenyl)-6-fluoroquinolin-4-yl]methylamino]acetate is COC(=O)CNCc1cc(-c2ccc(Br)cc2)nc2ccc(F)cc12.
What is the InChIKey of methyl 2-[[2-(4-bromophenyl)-6-fluoroquinolin-4-yl]methylamino]acetate?
The InChIKey is SCJCIFWYDRUKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN2O2/c1-25-19(24)11-22-10-13-8-18(12-2-4-14(20)5-3-12)23-17-7-6-15(21)9-16(13)17/h2-9,22H,10-11H2,1H3.
What are the key properties of methyl 2-[[2-(4-bromophenyl)-6-fluoroquinolin-4-yl]methylamino]acetate?
methyl 2-[[2-(4-bromophenyl)-6-fluoroquinolin-4-yl]methylamino]acetate has a molecular weight of 403.25 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-bromophenyl)-6-fluoroquinolin-4-yl]methylamino]acetate is sourced from PubChem (CID 70327864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).