(2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine

C17H18FN5O — CID 129342775

IUPAC(2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCn1cnnc1[C@@H]1CN(Cc2cc(F)cc3cccnc23)CCO1
InChIInChI=1S/C17H18FN5O/c1-22-11-20-21-17(22)15-10-23(5-6-24-15)9-13-8-14(18)7-12-3-2-4-19-16(12)13/h2-4,7-8,11,15H,5-6,9-10H2,1H3/t15-/m0/s1
InChIKeyVBLIKDTZUZNUJY-HNNXBMFYSA-N
MW327.36 g/mol
LogP2.08
Rot. Bonds3

About (2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine

(2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 129342775) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is (2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
PubChem CID129342775
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name(2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCn1cnnc1[C@@H]1CN(Cc2cc(F)cc3cccnc23)CCO1
InChIInChI=1S/C17H18FN5O/c1-22-11-20-21-17(22)15-10-23(5-6-24-15)9-13-8-14(18)7-12-3-2-4-19-16(12)13/h2-4,7-8,11,15H,5-6,9-10H2,1H3/t15-/m0/s1
InChIKeyVBLIKDTZUZNUJY-HNNXBMFYSA-N
XLogP2.08
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine with MolForge

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Related Compounds

(2R)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
CID 95156923
(2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine
CID 129341152
4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 128996806
methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate
CID 96999157
4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 128991953
(2R)-4-[(5-ethylfuran-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129336988
2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648296
(2R)-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129337844
(2R)-4-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129342344
(2R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129335905
(2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129331001
(2S)-4-[2-[(3R,5R)-3,5-dimethylcyclohexyl]ethyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129332459

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of (2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine (CID 129342775) is (2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for (2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for (2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine is Cn1cnnc1[C@@H]1CN(Cc2cc(F)cc3cccnc23)CCO1.
What is the InChIKey of (2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is VBLIKDTZUZNUJY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-22-11-20-21-17(22)15-10-23(5-6-24-15)9-13-8-14(18)7-12-3-2-4-19-16(12)13/h2-4,7-8,11,15H,5-6,9-10H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
(2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 327.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 129342775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).