N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine

C18H19FN4O2 — CID 128965348

IUPACN-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
SMILESCc1noc([C@@H]2CC[C@H](CNCc3cc(F)cc4cccnc34)O2)n1
InChIInChI=1S/C18H19FN4O2/c1-11-22-18(25-23-11)16-5-4-15(24-16)10-20-9-13-8-14(19)7-12-3-2-6-21-17(12)13/h2-3,6-8,15-16,20H,4-5,9-10H2,1H3/t15-,16+/m1/s1
InChIKeyQLXDAERLRKSWRX-CVEARBPZSA-N
MW342.37 g/mol
LogP3.08
Rot. Bonds5

About N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine

N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine (PubChem CID 128965348) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
PubChem CID128965348
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC NameN-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
SMILESCc1noc([C@@H]2CC[C@H](CNCc3cc(F)cc4cccnc34)O2)n1
InChIInChI=1S/C18H19FN4O2/c1-11-22-18(25-23-11)16-5-4-15(24-16)10-20-9-13-8-14(19)7-12-3-2-6-21-17(12)13/h2-3,6-8,15-16,20H,4-5,9-10H2,1H3/t15-,16+/m1/s1
InChIKeyQLXDAERLRKSWRX-CVEARBPZSA-N
XLogP3.08
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]oxane-3,4,5-triol
CID 49789592
N-[(2S,3R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]-6-propan-2-ylquinazolin-4-amine
CID 138037433
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(1H-indol-3-yl)propanoate
CID 8163266
1-[3-(3-Fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl 2-quinolin-8-ylacetate
CID 55562271
7-fluoro-2-methyl-N-{[5-(tetrahydro-2-furanyl)-1,2,4-oxadiazol-3-yl]methyl}-4-quinolinecarboxamide
CID 70704993
7-fluoro-2-methyl-N-{2-[5-(tetrahydro-2-furanyl)-1,2,4-oxadiazol-3-yl]ethyl}-4-quinolinecarboxamide
CID 70739050
4-[(6-Fluoroquinolin-8-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75480248
4-[(5-Fluoroquinolin-8-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75480249
7-fluoro-2-methyl-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide
CID 96571081
7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide
CID 96571082
7-fluoro-2-methyl-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]quinoline-4-carboxamide
CID 96575579
7-fluoro-2-methyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]quinoline-4-carboxamide
CID 96575580

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine?
The IUPAC name of N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine (CID 128965348) is N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine.
What is the SMILES notation for N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine?
The canonical SMILES for N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine is Cc1noc([C@@H]2CC[C@H](CNCc3cc(F)cc4cccnc34)O2)n1.
What is the InChIKey of N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine?
The InChIKey is QLXDAERLRKSWRX-CVEARBPZSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-11-22-18(25-23-11)16-5-4-15(24-16)10-20-9-13-8-14(19)7-12-3-2-6-21-17(12)13/h2-3,6-8,15-16,20H,4-5,9-10H2,1H3/t15-,16+/m1/s1.
What are the key properties of N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine?
N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine has a molecular weight of 342.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine is sourced from PubChem (CID 128965348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).