3-(7-ethylquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide

C24H20FN3O2 — CID 167579786

IUPAC3-(7-ethylquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide
SMILESCCc1ccc2c(Oc3cc(C(=O)NCc4ccncc4)ccc3F)ccnc2c1
InChIInChI=1S/C24H20FN3O2/c1-2-16-3-5-19-21(13-16)27-12-9-22(19)30-23-14-18(4-6-20(23)25)24(29)28-15-17-7-10-26-11-8-17/h3-14H,2,15H2,1H3,(H,28,29)
InChIKeyLFQXKVGLMGQLGD-UHFFFAOYSA-N
MW401.44 g/mol
LogP5.05
Rot. Bonds6

About 3-(7-ethylquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide

3-(7-ethylquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 167579786) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is 3-(7-ethylquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(7-ethylquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide
PubChem CID167579786
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC Name3-(7-ethylquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide
SMILESCCc1ccc2c(Oc3cc(C(=O)NCc4ccncc4)ccc3F)ccnc2c1
InChIInChI=1S/C24H20FN3O2/c1-2-16-3-5-19-21(13-16)27-12-9-22(19)30-23-14-18(4-6-20(23)25)24(29)28-15-17-7-10-26-11-8-17/h3-14H,2,15H2,1H3,(H,28,29)
InChIKeyLFQXKVGLMGQLGD-UHFFFAOYSA-N
XLogP5.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.44
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-fluoroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155778961
4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide
CID 167645967
4-fluoro-N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide
CID 167533681
3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155779221
3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide
CID 167695764
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide
CID 155778979
3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165286
2-methyl-3-(7-pyrazin-2-ylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide
CID 155778804
4-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
CID 24517908
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060
3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide
CID 155779160

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethylquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-(7-ethylquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide (CID 167579786) is 3-(7-ethylquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-(7-ethylquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-(7-ethylquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide is CCc1ccc2c(Oc3cc(C(=O)NCc4ccncc4)ccc3F)ccnc2c1.
What is the InChIKey of 3-(7-ethylquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is LFQXKVGLMGQLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-2-16-3-5-19-21(13-16)27-12-9-22(19)30-23-14-18(4-6-20(23)25)24(29)28-15-17-7-10-26-11-8-17/h3-14H,2,15H2,1H3,(H,28,29).
What are the key properties of 3-(7-ethylquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide?
3-(7-ethylquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 401.44 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethylquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 167579786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).