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

C18H19FN4O2 — CID 128965852

IUPACN-[(5-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](CNCc3ccc(F)c4cccnc34)O2)n1
InChIInChI=1S/C18H19FN4O2/c1-11-22-18(25-23-11)16-7-5-13(24-16)10-20-9-12-4-6-15(19)14-3-2-8-21-17(12)14/h2-4,6,8,13,16,20H,5,7,9-10H2,1H3/t13-,16+/m1/s1
InChIKeyAWFMSBHBMFQPGO-CJNGLKHVSA-N
MW342.37 g/mol
LogP3.08
Rot. Bonds5

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

N-[(5-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine (PubChem CID 128965852) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[(5-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(5-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
PubChem CID128965852
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC NameN-[(5-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](CNCc3ccc(F)c4cccnc34)O2)n1
InChIInChI=1S/C18H19FN4O2/c1-11-22-18(25-23-11)16-7-5-13(24-16)10-20-9-12-4-6-15(19)14-3-2-8-21-17(12)14/h2-4,6,8,13,16,20H,5,7,9-10H2,1H3/t13-,16+/m1/s1
InChIKeyAWFMSBHBMFQPGO-CJNGLKHVSA-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

N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-quinolin-8-ylmethanesulfonamide
CID 128968376
N-(imidazo[1,2-a]pyridin-5-ylmethyl)-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 128970524
8-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine
CID 128968332
6-methyl-2-[[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methylamino]methyl]pyridin-3-ol
CID 128994012
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 128970291
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 154736814
N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 129004563
5-chloro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrimidin-2-amine
CID 129004564
1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 63249000
(2R)-1-methoxy-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-phenylpropan-2-amine
CID 129476009
(3S)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]thiolan-3-amine
CID 129330675
(3aS,5S,7aS)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 124808027

Frequently Asked Questions

What is the IUPAC name of N-[(5-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-[(5-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine (CID 128965852) is N-[(5-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-[(5-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-[(5-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](CNCc3ccc(F)c4cccnc34)O2)n1.
What is the InChIKey of N-[(5-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine?
The InChIKey is AWFMSBHBMFQPGO-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-11-22-18(25-23-11)16-7-5-13(24-16)10-20-9-12-4-6-15(19)14-3-2-8-21-17(12)14/h2-4,6,8,13,16,20H,5,7,9-10H2,1H3/t13-,16+/m1/s1.
What are the key properties of N-[(5-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine?
N-[(5-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-[(5-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 128965852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).