4-fluoro-N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide

C25H20F2N2O3 — CID 167533681

IUPAC4-fluoro-N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide
SMILESCOc1cc2c(Oc3cc(C(=O)NCc4cccc(F)c4)ccc3F)ccnc2cc1C
InChIInChI=1S/C25H20F2N2O3/c1-15-10-21-19(13-23(15)31-2)22(8-9-28-21)32-24-12-17(6-7-20(24)27)25(30)29-14-16-4-3-5-18(26)11-16/h3-13H,14H2,1-2H3,(H,29,30)
InChIKeyAHMOJFGSAAXWAU-UHFFFAOYSA-N
MW434.44 g/mol
LogP5.55
Rot. Bonds6

About 4-fluoro-N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide

4-fluoro-N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide (PubChem CID 167533681) has the molecular formula C25H20F2N2O3 and a molecular weight of 434.44 g/mol. Its IUPAC name is 4-fluoro-N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide.

Molecular Properties

Compound Name4-fluoro-N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide
PubChem CID167533681
Molecular FormulaC25H20F2N2O3
Molecular Weight434.44 g/mol
Exact Mass434.14
IUPAC Name4-fluoro-N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide
SMILESCOc1cc2c(Oc3cc(C(=O)NCc4cccc(F)c4)ccc3F)ccnc2cc1C
InChIInChI=1S/C25H20F2N2O3/c1-15-10-21-19(13-23(15)31-2)22(8-9-28-21)32-24-12-17(6-7-20(24)27)25(30)29-14-16-4-3-5-18(26)11-16/h3-13H,14H2,1-2H3,(H,29,30)
InChIKeyAHMOJFGSAAXWAU-UHFFFAOYSA-N
XLogP5.55
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.44
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide
CID 167645967
3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide
CID 167695764
N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 52570640
N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-2-carboxamide
CID 67520391
3-(7-ethylquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 167579786
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 9182358
3-[7-(dimethylamino)quinolin-4-yl]oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide
CID 155778829
N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46586210
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 110780014
N-[(3-fluorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131635886
2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 10293185
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide?
The IUPAC name of 4-fluoro-N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide (CID 167533681) is 4-fluoro-N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide.
What is the SMILES notation for 4-fluoro-N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide?
The canonical SMILES for 4-fluoro-N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide is COc1cc2c(Oc3cc(C(=O)NCc4cccc(F)c4)ccc3F)ccnc2cc1C.
What is the InChIKey of 4-fluoro-N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide?
The InChIKey is AHMOJFGSAAXWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O3/c1-15-10-21-19(13-23(15)31-2)22(8-9-28-21)32-24-12-17(6-7-20(24)27)25(30)29-14-16-4-3-5-18(26)11-16/h3-13H,14H2,1-2H3,(H,29,30).
What are the key properties of 4-fluoro-N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide?
4-fluoro-N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide has a molecular weight of 434.44 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide is sourced from PubChem (CID 167533681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).