5-[(5-fluoro-2-pyridinyl)-quinolin-6-yloxymethyl]-3-methyl-1,2,4-oxadiazole

C18H13FN4O2 — CID 138517407

IUPAC5-[(5-fluoro-2-pyridinyl)-quinolin-6-yloxymethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C(Oc2ccc3ncccc3c2)c2ccc(F)cn2)n1
InChIInChI=1S/C18H13FN4O2/c1-11-22-18(25-23-11)17(16-6-4-13(19)10-21-16)24-14-5-7-15-12(9-14)3-2-8-20-15/h2-10,17H,1H3
InChIKeyBPEQZRNSCRWJGM-UHFFFAOYSA-N
MW336.33 g/mol
LogP3.63
Rot. Bonds4

About 5-[(5-fluoro-2-pyridinyl)-quinolin-6-yloxymethyl]-3-methyl-1,2,4-oxadiazole

5-[(5-fluoro-2-pyridinyl)-quinolin-6-yloxymethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 138517407) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 5-[(5-fluoro-2-pyridinyl)-quinolin-6-yloxymethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(5-fluoro-2-pyridinyl)-quinolin-6-yloxymethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID138517407
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC Name5-[(5-fluoro-2-pyridinyl)-quinolin-6-yloxymethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C(Oc2ccc3ncccc3c2)c2ccc(F)cn2)n1
InChIInChI=1S/C18H13FN4O2/c1-11-22-18(25-23-11)17(16-6-4-13(19)10-21-16)24-14-5-7-15-12(9-14)3-2-8-20-15/h2-10,17H,1H3
InChIKeyBPEQZRNSCRWJGM-UHFFFAOYSA-N
XLogP3.63
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(5-fluoro-2-pyridinyl)-quinolin-6-yloxymethyl]-3-methyl-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

N-[(Z)-3-(5-fluoro-2-pyridinyl)-1-(methylideneamino)-3-quinolin-6-yloxyprop-1-en-2-yl]ethanimine
CID 155087009
(5-fluoro-2-pyridinyl)-quinolin-6-ylmethanol
CID 81221058
2-[[5-(difluoromethoxy)-2-pyridinyl]-quinolin-6-yloxymethyl]-1,3,4-thiadiazole
CID 155087019
2-[(3-bromoquinolin-6-yl)oxy-(5-fluoro-2-pyridinyl)methyl]-1,3,4-oxadiazole;ethyl 2-(3-bromoquinolin-6-yl)oxy-2-(5-fluoro-2-pyridinyl)acetate
CID 161113280
3-methyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole
CID 56820803
5-[(3,4-dichlorophenyl)-quinolin-6-yloxymethyl]-1,3-oxazole
CID 155087016
6-[(4-fluorophenyl)methoxy]quinoline
CID 60595158
[2-[phenyl(quinolin-6-yloxy)methyl]-1,3-oxazol-4-yl]methanol
CID 155087050
ethene;6-methoxyquinoline
CID 174599262
6-[(2-methylpropan-2-yl)oxy]quinoline
CID 59854598
1-O-(4-fluorophenyl) 9-O-quinolin-6-yl nonanedioate
CID 118670311
6-(1-piperidin-4-ylethoxy)quinoline
CID 117051472

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-pyridinyl)-quinolin-6-yloxymethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(5-fluoro-2-pyridinyl)-quinolin-6-yloxymethyl]-3-methyl-1,2,4-oxadiazole (CID 138517407) is 5-[(5-fluoro-2-pyridinyl)-quinolin-6-yloxymethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(5-fluoro-2-pyridinyl)-quinolin-6-yloxymethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(5-fluoro-2-pyridinyl)-quinolin-6-yloxymethyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(C(Oc2ccc3ncccc3c2)c2ccc(F)cn2)n1.
What is the InChIKey of 5-[(5-fluoro-2-pyridinyl)-quinolin-6-yloxymethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is BPEQZRNSCRWJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2/c1-11-22-18(25-23-11)17(16-6-4-13(19)10-21-16)24-14-5-7-15-12(9-14)3-2-8-20-15/h2-10,17H,1H3.
What are the key properties of 5-[(5-fluoro-2-pyridinyl)-quinolin-6-yloxymethyl]-3-methyl-1,2,4-oxadiazole?
5-[(5-fluoro-2-pyridinyl)-quinolin-6-yloxymethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 336.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-pyridinyl)-quinolin-6-yloxymethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 138517407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).