amino 3-fluoro-4-hydroxy-2-[(6-methoxyquinolin-4-yl)methyl]piperidine-1-carboxylate

C17H20FN3O4 — CID 141328371

IUPACamino 3-fluoro-4-hydroxy-2-[(6-methoxyquinolin-4-yl)methyl]piperidine-1-carboxylate
SMILESCOc1ccc2nccc(CC3C(F)C(O)CCN3C(=O)ON)c2c1
InChIInChI=1S/C17H20FN3O4/c1-24-11-2-3-13-12(9-11)10(4-6-20-13)8-14-16(18)15(22)5-7-21(14)17(23)25-19/h2-4,6,9,14-16,22H,5,7-8,19H2,1H3
InChIKeyQIQBBDSUEIDYQM-UHFFFAOYSA-N
MW349.36 g/mol
LogP1.57
Rot. Bonds3

About amino 3-fluoro-4-hydroxy-2-[(6-methoxyquinolin-4-yl)methyl]piperidine-1-carboxylate

amino 3-fluoro-4-hydroxy-2-[(6-methoxyquinolin-4-yl)methyl]piperidine-1-carboxylate (PubChem CID 141328371) has the molecular formula C17H20FN3O4 and a molecular weight of 349.36 g/mol. Its IUPAC name is amino 3-fluoro-4-hydroxy-2-[(6-methoxyquinolin-4-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameamino 3-fluoro-4-hydroxy-2-[(6-methoxyquinolin-4-yl)methyl]piperidine-1-carboxylate
PubChem CID141328371
Molecular FormulaC17H20FN3O4
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Nameamino 3-fluoro-4-hydroxy-2-[(6-methoxyquinolin-4-yl)methyl]piperidine-1-carboxylate
SMILESCOc1ccc2nccc(CC3C(F)C(O)CCN3C(=O)ON)c2c1
InChIInChI=1S/C17H20FN3O4/c1-24-11-2-3-13-12(9-11)10(4-6-20-13)8-14-16(18)15(22)5-7-21(14)17(23)25-19/h2-4,6,9,14-16,22H,5,7-8,19H2,1H3
InChIKeyQIQBBDSUEIDYQM-UHFFFAOYSA-N
XLogP1.57
TPSA97.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(6-methoxyquinolin-4-yl)ethyl]cyclopropanecarboxamide
CID 19709964
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
ethyl 3-(6-methoxyquinolin-4-yl)propanoate
CID 66736782
sodium;hydride;6-methoxyquinoline-4-carboxylic acid
CID 173088597
N-[2-(2,5-difluorophenyl)ethenyl]-1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidine-4-carboxamide
CID 66921350
methyl 3-(6-methoxyquinolin-4-yl)-3-oxopropanoate
CID 82665606
[1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl] N-[2-(2,5-difluorophenyl)ethenyl]carbamate
CID 68569352
2-[(3R,4R)-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]acetic acid
CID 21347710
1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one
CID 70514644
3-(6-methoxyquinolin-4-yl)propanal
CID 10751165
2-ethyl-7-[(6-methoxyquinolin-4-yl)methyl]-6-azatricyclo[4.2.0.01,3]octane
CID 91295232
N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-4-methylbenzamide
CID 162655667

Frequently Asked Questions

What is the IUPAC name of amino 3-fluoro-4-hydroxy-2-[(6-methoxyquinolin-4-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of amino 3-fluoro-4-hydroxy-2-[(6-methoxyquinolin-4-yl)methyl]piperidine-1-carboxylate (CID 141328371) is amino 3-fluoro-4-hydroxy-2-[(6-methoxyquinolin-4-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for amino 3-fluoro-4-hydroxy-2-[(6-methoxyquinolin-4-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for amino 3-fluoro-4-hydroxy-2-[(6-methoxyquinolin-4-yl)methyl]piperidine-1-carboxylate is COc1ccc2nccc(CC3C(F)C(O)CCN3C(=O)ON)c2c1.
What is the InChIKey of amino 3-fluoro-4-hydroxy-2-[(6-methoxyquinolin-4-yl)methyl]piperidine-1-carboxylate?
The InChIKey is QIQBBDSUEIDYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4/c1-24-11-2-3-13-12(9-11)10(4-6-20-13)8-14-16(18)15(22)5-7-21(14)17(23)25-19/h2-4,6,9,14-16,22H,5,7-8,19H2,1H3.
What are the key properties of amino 3-fluoro-4-hydroxy-2-[(6-methoxyquinolin-4-yl)methyl]piperidine-1-carboxylate?
amino 3-fluoro-4-hydroxy-2-[(6-methoxyquinolin-4-yl)methyl]piperidine-1-carboxylate has a molecular weight of 349.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino 3-fluoro-4-hydroxy-2-[(6-methoxyquinolin-4-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 141328371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).