6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one

C17H22FN3O2 — CID 154634949

IUPAC6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one
SMILESCC(C)On1ccc(=O)c2cc(F)c(N3CCN(C)CC3)cc21
InChIInChI=1S/C17H22FN3O2/c1-12(2)23-21-5-4-17(22)13-10-14(18)16(11-15(13)21)20-8-6-19(3)7-9-20/h4-5,10-12H,6-9H2,1-3H3
InChIKeyBLFLGBSJLMEEBG-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.73
Rot. Bonds3

About 6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one

6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one (PubChem CID 154634949) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one.

Molecular Properties

Compound Name6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one
PubChem CID154634949
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one
SMILESCC(C)On1ccc(=O)c2cc(F)c(N3CCN(C)CC3)cc21
InChIInChI=1S/C17H22FN3O2/c1-12(2)23-21-5-4-17(22)13-10-14(18)16(11-15(13)21)20-8-6-19(3)7-9-20/h4-5,10-12H,6-9H2,1-3H3
InChIKeyBLFLGBSJLMEEBG-UHFFFAOYSA-N
XLogP1.73
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one?
The IUPAC name of 6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one (CID 154634949) is 6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one.
What is the SMILES notation for 6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one?
The canonical SMILES for 6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one is CC(C)On1ccc(=O)c2cc(F)c(N3CCN(C)CC3)cc21.
What is the InChIKey of 6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one?
The InChIKey is BLFLGBSJLMEEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-12(2)23-21-5-4-17(22)13-10-14(18)16(11-15(13)21)20-8-6-19(3)7-9-20/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one?
6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one has a molecular weight of 319.38 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one is sourced from PubChem (CID 154634949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).