1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one

C20H27N3O2 — CID 58460342

IUPAC1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCc1cc(N)c2c(OCC3CCN(C(=O)C(C)C)CC3)cccc2n1
InChIInChI=1S/C20H27N3O2/c1-13(2)20(24)23-9-7-15(8-10-23)12-25-18-6-4-5-17-19(18)16(21)11-14(3)22-17/h4-6,11,13,15H,7-10,12H2,1-3H3,(H2,21,22)
InChIKeyZRCIXRVSNSOKHH-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.40
Rot. Bonds4

About 1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 58460342) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID58460342
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCc1cc(N)c2c(OCC3CCN(C(=O)C(C)C)CC3)cccc2n1
InChIInChI=1S/C20H27N3O2/c1-13(2)20(24)23-9-7-15(8-10-23)12-25-18-6-4-5-17-19(18)16(21)11-14(3)22-17/h4-6,11,13,15H,7-10,12H2,1-3H3,(H2,21,22)
InChIKeyZRCIXRVSNSOKHH-UHFFFAOYSA-N
XLogP3.40
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one (CID 58460342) is 1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one is Cc1cc(N)c2c(OCC3CCN(C(=O)C(C)C)CC3)cccc2n1.
What is the InChIKey of 1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is ZRCIXRVSNSOKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-13(2)20(24)23-9-7-15(8-10-23)12-25-18-6-4-5-17-19(18)16(21)11-14(3)22-17/h4-6,11,13,15H,7-10,12H2,1-3H3,(H2,21,22).
What are the key properties of 1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 341.46 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 58460342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).