methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate

C17H19FN2O3 — CID 96999157

IUPACmethyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate
SMILESCOC(=O)C[C@H]1CN(Cc2cc(F)cc3cccnc23)CCO1
InChIInChI=1S/C17H19FN2O3/c1-22-16(21)9-15-11-20(5-6-23-15)10-13-8-14(18)7-12-3-2-4-19-17(12)13/h2-4,7-8,15H,5-6,9-11H2,1H3/t15-/m0/s1
InChIKeyDLJPTFIZZPCTFE-HNNXBMFYSA-N
MW318.35 g/mol
LogP2.14
Rot. Bonds4

About methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate

methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate (PubChem CID 96999157) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate
PubChem CID96999157
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Namemethyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate
SMILESCOC(=O)C[C@H]1CN(Cc2cc(F)cc3cccnc23)CCO1
InChIInChI=1S/C17H19FN2O3/c1-22-16(21)9-15-11-20(5-6-23-15)10-13-8-14(18)7-12-3-2-4-19-17(12)13/h2-4,7-8,15H,5-6,9-11H2,1H3/t15-/m0/s1
InChIKeyDLJPTFIZZPCTFE-HNNXBMFYSA-N
XLogP2.14
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate
CID 79822519
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate
CID 104969525
methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate
CID 115533910
methyl 2-[4-[(4-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate
CID 79827334
1-[(2S)-4-[(6-chloroquinolin-8-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 95349360
(2R)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
CID 95156923
methyl 2-[4-[(3-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate
CID 103886154
(2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129342775
methyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholin-2-yl]acetate
CID 84587348
1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone
CID 56813387
methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
CID 79822269

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate (CID 96999157) is methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate is COC(=O)C[C@H]1CN(Cc2cc(F)cc3cccnc23)CCO1.
What is the InChIKey of methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate?
The InChIKey is DLJPTFIZZPCTFE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-22-16(21)9-15-11-20(5-6-23-15)10-13-8-14(18)7-12-3-2-4-19-17(12)13/h2-4,7-8,15H,5-6,9-11H2,1H3/t15-/m0/s1.
What are the key properties of methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate?
methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate has a molecular weight of 318.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate is sourced from PubChem (CID 96999157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).