methyl 2-[[8-fluoro-2-(3-methylbutoxy)-6-phenylmethoxyquinolin-7-yl]amino]acetate

C24H27FN2O4 — CID 165122706

IUPACmethyl 2-[[8-fluoro-2-(3-methylbutoxy)-6-phenylmethoxyquinolin-7-yl]amino]acetate
SMILESCOC(=O)CNc1c(OCc2ccccc2)cc2ccc(OCCC(C)C)nc2c1F
InChIInChI=1S/C24H27FN2O4/c1-16(2)11-12-30-20-10-9-18-13-19(31-15-17-7-5-4-6-8-17)24(22(25)23(18)27-20)26-14-21(28)29-3/h4-10,13,16,26H,11-12,14-15H2,1-3H3
InChIKeyNJARMDDBJLNZNU-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.96
Rot. Bonds10

About methyl 2-[[8-fluoro-2-(3-methylbutoxy)-6-phenylmethoxyquinolin-7-yl]amino]acetate

methyl 2-[[8-fluoro-2-(3-methylbutoxy)-6-phenylmethoxyquinolin-7-yl]amino]acetate (PubChem CID 165122706) has the molecular formula C24H27FN2O4 and a molecular weight of 426.49 g/mol. Its IUPAC name is methyl 2-[[8-fluoro-2-(3-methylbutoxy)-6-phenylmethoxyquinolin-7-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[8-fluoro-2-(3-methylbutoxy)-6-phenylmethoxyquinolin-7-yl]amino]acetate
PubChem CID165122706
Molecular FormulaC24H27FN2O4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC Namemethyl 2-[[8-fluoro-2-(3-methylbutoxy)-6-phenylmethoxyquinolin-7-yl]amino]acetate
SMILESCOC(=O)CNc1c(OCc2ccccc2)cc2ccc(OCCC(C)C)nc2c1F
InChIInChI=1S/C24H27FN2O4/c1-16(2)11-12-30-20-10-9-18-13-19(31-15-17-7-5-4-6-8-17)24(22(25)23(18)27-20)26-14-21(28)29-3/h4-10,13,16,26H,11-12,14-15H2,1-3H3
InChIKeyNJARMDDBJLNZNU-UHFFFAOYSA-N
XLogP4.96
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[8-fluoro-2-(3-methylbutoxy)-6-phenylmethoxyquinolin-7-yl]amino]acetate?
The IUPAC name of methyl 2-[[8-fluoro-2-(3-methylbutoxy)-6-phenylmethoxyquinolin-7-yl]amino]acetate (CID 165122706) is methyl 2-[[8-fluoro-2-(3-methylbutoxy)-6-phenylmethoxyquinolin-7-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[8-fluoro-2-(3-methylbutoxy)-6-phenylmethoxyquinolin-7-yl]amino]acetate?
The canonical SMILES for methyl 2-[[8-fluoro-2-(3-methylbutoxy)-6-phenylmethoxyquinolin-7-yl]amino]acetate is COC(=O)CNc1c(OCc2ccccc2)cc2ccc(OCCC(C)C)nc2c1F.
What is the InChIKey of methyl 2-[[8-fluoro-2-(3-methylbutoxy)-6-phenylmethoxyquinolin-7-yl]amino]acetate?
The InChIKey is NJARMDDBJLNZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4/c1-16(2)11-12-30-20-10-9-18-13-19(31-15-17-7-5-4-6-8-17)24(22(25)23(18)27-20)26-14-21(28)29-3/h4-10,13,16,26H,11-12,14-15H2,1-3H3.
What are the key properties of methyl 2-[[8-fluoro-2-(3-methylbutoxy)-6-phenylmethoxyquinolin-7-yl]amino]acetate?
methyl 2-[[8-fluoro-2-(3-methylbutoxy)-6-phenylmethoxyquinolin-7-yl]amino]acetate has a molecular weight of 426.49 g/mol, XLogP of 4.96, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[8-fluoro-2-(3-methylbutoxy)-6-phenylmethoxyquinolin-7-yl]amino]acetate is sourced from PubChem (CID 165122706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).