[2-(2-hydroxyethyl)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone

C18H22N2O3 — CID 110887007

IUPAC[2-(2-hydroxyethyl)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
SMILESCOc1ccc2nc(C(=O)N3CCCCC3CCO)ccc2c1
InChIInChI=1S/C18H22N2O3/c1-23-15-6-8-16-13(12-15)5-7-17(19-16)18(22)20-10-3-2-4-14(20)9-11-21/h5-8,12,14,21H,2-4,9-11H2,1H3
InChIKeyVGVSOZNQKHJYPP-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.62
Rot. Bonds4

About [2-(2-hydroxyethyl)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone

[2-(2-hydroxyethyl)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone (PubChem CID 110887007) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
PubChem CID110887007
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name[2-(2-hydroxyethyl)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
SMILESCOc1ccc2nc(C(=O)N3CCCCC3CCO)ccc2c1
InChIInChI=1S/C18H22N2O3/c1-23-15-6-8-16-13(12-15)5-7-17(19-16)18(22)20-10-3-2-4-14(20)9-11-21/h5-8,12,14,21H,2-4,9-11H2,1H3
InChIKeyVGVSOZNQKHJYPP-UHFFFAOYSA-N
XLogP2.62
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
CID 42929431
[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone
CID 42286355
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5-methoxyindol-1-yl)ethanone
CID 110891728
[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 84580383
(4-methoxypiperidin-1-yl)-(6-methoxyquinolin-2-yl)methanone
CID 56810636
(6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 113323326
(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62958660
1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone
CID 42096484
[2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63249558
cyclohexyl 6-methoxyquinoline-2-carboxylate
CID 24585683
(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 77081763
(4-hydroxyphenyl)-[1-(6-methoxyquinoline-2-carbonyl)piperidin-4-yl]methanone
CID 78836706

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone?
The IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone (CID 110887007) is [2-(2-hydroxyethyl)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone.
What is the SMILES notation for [2-(2-hydroxyethyl)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone?
The canonical SMILES for [2-(2-hydroxyethyl)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone is COc1ccc2nc(C(=O)N3CCCCC3CCO)ccc2c1.
What is the InChIKey of [2-(2-hydroxyethyl)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone?
The InChIKey is VGVSOZNQKHJYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-23-15-6-8-16-13(12-15)5-7-17(19-16)18(22)20-10-3-2-4-14(20)9-11-21/h5-8,12,14,21H,2-4,9-11H2,1H3.
What are the key properties of [2-(2-hydroxyethyl)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone?
[2-(2-hydroxyethyl)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone has a molecular weight of 314.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone is sourced from PubChem (CID 110887007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).