3-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-quinolin-3-ylbenzamide

C21H17FN4O2 — CID 169421992

IUPAC3-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-quinolin-3-ylbenzamide
SMILESCc1nnc(CN(C)C(=O)c2cc(F)cc(-c3cnc4ccccc4c3)c2)o1
InChIInChI=1S/C21H17FN4O2/c1-13-24-25-20(28-13)12-26(2)21(27)16-8-15(9-18(22)10-16)17-7-14-5-3-4-6-19(14)23-11-17/h3-11H,12H2,1-2H3
InChIKeyJWUBAVWOBQCFBD-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.00
Rot. Bonds4

About 3-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-quinolin-3-ylbenzamide

3-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-quinolin-3-ylbenzamide (PubChem CID 169421992) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-quinolin-3-ylbenzamide
PubChem CID169421992
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name3-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-quinolin-3-ylbenzamide
SMILESCc1nnc(CN(C)C(=O)c2cc(F)cc(-c3cnc4ccccc4c3)c2)o1
InChIInChI=1S/C21H17FN4O2/c1-13-24-25-20(28-13)12-26(2)21(27)16-8-15(9-18(22)10-16)17-7-14-5-3-4-6-19(14)23-11-17/h3-11H,12H2,1-2H3
InChIKeyJWUBAVWOBQCFBD-UHFFFAOYSA-N
XLogP4.00
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-quinolin-3-ylbenzamide?
The IUPAC name of 3-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-quinolin-3-ylbenzamide (CID 169421992) is 3-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-quinolin-3-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-quinolin-3-ylbenzamide?
The canonical SMILES for 3-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-quinolin-3-ylbenzamide is Cc1nnc(CN(C)C(=O)c2cc(F)cc(-c3cnc4ccccc4c3)c2)o1.
What is the InChIKey of 3-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-quinolin-3-ylbenzamide?
The InChIKey is JWUBAVWOBQCFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-13-24-25-20(28-13)12-26(2)21(27)16-8-15(9-18(22)10-16)17-7-14-5-3-4-6-19(14)23-11-17/h3-11H,12H2,1-2H3.
What are the key properties of 3-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-quinolin-3-ylbenzamide?
3-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-quinolin-3-ylbenzamide has a molecular weight of 376.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-quinolin-3-ylbenzamide is sourced from PubChem (CID 169421992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).