4-[(5-fluoroquinolin-8-yl)methyl]-2-methylmorpholine

C15H17FN2O — CID 42957454

IUPAC4-[(5-fluoroquinolin-8-yl)methyl]-2-methylmorpholine
SMILESCC1CN(Cc2ccc(F)c3cccnc23)CCO1
InChIInChI=1S/C15H17FN2O/c1-11-9-18(7-8-19-11)10-12-4-5-14(16)13-3-2-6-17-15(12)13/h2-6,11H,7-10H2,1H3
InChIKeyBIAATQNHOSXFQE-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.59
Rot. Bonds2

About 4-[(5-fluoroquinolin-8-yl)methyl]-2-methylmorpholine

4-[(5-fluoroquinolin-8-yl)methyl]-2-methylmorpholine (PubChem CID 42957454) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-[(5-fluoroquinolin-8-yl)methyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[(5-fluoroquinolin-8-yl)methyl]-2-methylmorpholine
PubChem CID42957454
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name4-[(5-fluoroquinolin-8-yl)methyl]-2-methylmorpholine
SMILESCC1CN(Cc2ccc(F)c3cccnc23)CCO1
InChIInChI=1S/C15H17FN2O/c1-11-9-18(7-8-19-11)10-12-4-5-14(16)13-3-2-6-17-15(12)13/h2-6,11H,7-10H2,1H3
InChIKeyBIAATQNHOSXFQE-UHFFFAOYSA-N
XLogP2.59
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine
CID 81493159
(2S)-1-[(2S)-4-[(5-fluoroquinolin-8-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 98763722
2-[(5-fluoroquinolin-8-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234559
(3S,4R)-1-[(5-fluoroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120769922
1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 63249000
3-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 56812503
5-fluoro-8-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]quinoline
CID 37385220
3-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]aniline
CID 178034876
N-methyl-1-[2-[(2-methylmorpholin-4-yl)methyl]-3-pyridinyl]methanamine
CID 114198961
1-[3-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-amine
CID 151368723
4-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2-methylmorpholine
CID 169422723
3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridine-2-carbonitrile
CID 55153333

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoroquinolin-8-yl)methyl]-2-methylmorpholine?
The IUPAC name of 4-[(5-fluoroquinolin-8-yl)methyl]-2-methylmorpholine (CID 42957454) is 4-[(5-fluoroquinolin-8-yl)methyl]-2-methylmorpholine.
What is the SMILES notation for 4-[(5-fluoroquinolin-8-yl)methyl]-2-methylmorpholine?
The canonical SMILES for 4-[(5-fluoroquinolin-8-yl)methyl]-2-methylmorpholine is CC1CN(Cc2ccc(F)c3cccnc23)CCO1.
What is the InChIKey of 4-[(5-fluoroquinolin-8-yl)methyl]-2-methylmorpholine?
The InChIKey is BIAATQNHOSXFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11-9-18(7-8-19-11)10-12-4-5-14(16)13-3-2-6-17-15(12)13/h2-6,11H,7-10H2,1H3.
What are the key properties of 4-[(5-fluoroquinolin-8-yl)methyl]-2-methylmorpholine?
4-[(5-fluoroquinolin-8-yl)methyl]-2-methylmorpholine has a molecular weight of 260.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoroquinolin-8-yl)methyl]-2-methylmorpholine is sourced from PubChem (CID 42957454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).