methyl 2-[(2-fluorooxy-6-phenylmethoxyquinolin-7-yl)amino]acetate

C19H17FN2O4 — CID 165122599

IUPACmethyl 2-[(2-fluorooxy-6-phenylmethoxyquinolin-7-yl)amino]acetate
SMILESCOC(=O)CNc1cc2nc(OF)ccc2cc1OCc1ccccc1
InChIInChI=1S/C19H17FN2O4/c1-24-19(23)11-21-16-10-15-14(7-8-18(22-15)26-20)9-17(16)25-12-13-5-3-2-4-6-13/h2-10,21H,11-12H2,1H3
InChIKeyBGXAMVNSJWHEKR-UHFFFAOYSA-N
MW356.35 g/mol
LogP3.66
Rot. Bonds7

About methyl 2-[(2-fluorooxy-6-phenylmethoxyquinolin-7-yl)amino]acetate

methyl 2-[(2-fluorooxy-6-phenylmethoxyquinolin-7-yl)amino]acetate (PubChem CID 165122599) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is methyl 2-[(2-fluorooxy-6-phenylmethoxyquinolin-7-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-fluorooxy-6-phenylmethoxyquinolin-7-yl)amino]acetate
PubChem CID165122599
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Namemethyl 2-[(2-fluorooxy-6-phenylmethoxyquinolin-7-yl)amino]acetate
SMILESCOC(=O)CNc1cc2nc(OF)ccc2cc1OCc1ccccc1
InChIInChI=1S/C19H17FN2O4/c1-24-19(23)11-21-16-10-15-14(7-8-18(22-15)26-20)9-17(16)25-12-13-5-3-2-4-6-13/h2-10,21H,11-12H2,1H3
InChIKeyBGXAMVNSJWHEKR-UHFFFAOYSA-N
XLogP3.66
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 15789
Ethacridine
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CID 165457
2-[(6-methoxy-2-methyl-4-quinolyl)oxy]-N-(2-methoxyphenyl)acetamide
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Quin2
CID 135539
N-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
CID 70682976
N-n-heptyl-7-methoxytacrine hydrochloride
CID 10496398
N-n-hexyl-7-methoxytacrine hydrochloride
CID 52941983
7-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 44592207
6-methoxy-N-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-amine
CID 4827389
6-ethoxy-N-(4-ethoxyphenyl)-2-methylquinolin-4-amine
CID 696591
7-ethoxy-3-N-(furan-2-ylmethyl)acridine-3,9-diamine
CID 3135086

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluorooxy-6-phenylmethoxyquinolin-7-yl)amino]acetate?
The IUPAC name of methyl 2-[(2-fluorooxy-6-phenylmethoxyquinolin-7-yl)amino]acetate (CID 165122599) is methyl 2-[(2-fluorooxy-6-phenylmethoxyquinolin-7-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-fluorooxy-6-phenylmethoxyquinolin-7-yl)amino]acetate?
The canonical SMILES for methyl 2-[(2-fluorooxy-6-phenylmethoxyquinolin-7-yl)amino]acetate is COC(=O)CNc1cc2nc(OF)ccc2cc1OCc1ccccc1.
What is the InChIKey of methyl 2-[(2-fluorooxy-6-phenylmethoxyquinolin-7-yl)amino]acetate?
The InChIKey is BGXAMVNSJWHEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c1-24-19(23)11-21-16-10-15-14(7-8-18(22-15)26-20)9-17(16)25-12-13-5-3-2-4-6-13/h2-10,21H,11-12H2,1H3.
What are the key properties of methyl 2-[(2-fluorooxy-6-phenylmethoxyquinolin-7-yl)amino]acetate?
methyl 2-[(2-fluorooxy-6-phenylmethoxyquinolin-7-yl)amino]acetate has a molecular weight of 356.35 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluorooxy-6-phenylmethoxyquinolin-7-yl)amino]acetate is sourced from PubChem (CID 165122599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).