1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one

C20H25FN4O2 — CID 146089206

IUPAC1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one
SMILESCOCc1cc(N2CCC(N3CCCNC3=O)CC2)c2cc(F)ccc2n1
InChIInChI=1S/C20H25FN4O2/c1-27-13-15-12-19(17-11-14(21)3-4-18(17)23-15)24-9-5-16(6-10-24)25-8-2-7-22-20(25)26/h3-4,11-12,16H,2,5-10,13H2,1H3,(H,22,26)
InChIKeyJFXSYICFUPEUNT-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.90
Rot. Bonds4

About 1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one

1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one (PubChem CID 146089206) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one
PubChem CID146089206
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one
SMILESCOCc1cc(N2CCC(N3CCCNC3=O)CC2)c2cc(F)ccc2n1
InChIInChI=1S/C20H25FN4O2/c1-27-13-15-12-19(17-11-14(21)3-4-18(17)23-15)24-9-5-16(6-10-24)25-8-2-7-22-20(25)26/h3-4,11-12,16H,2,5-10,13H2,1H3,(H,22,26)
InChIKeyJFXSYICFUPEUNT-UHFFFAOYSA-N
XLogP2.90
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one?
The IUPAC name of 1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one (CID 146089206) is 1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one is COCc1cc(N2CCC(N3CCCNC3=O)CC2)c2cc(F)ccc2n1.
What is the InChIKey of 1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one?
The InChIKey is JFXSYICFUPEUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-27-13-15-12-19(17-11-14(21)3-4-18(17)23-15)24-9-5-16(6-10-24)25-8-2-7-22-20(25)26/h3-4,11-12,16H,2,5-10,13H2,1H3,(H,22,26).
What are the key properties of 1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one?
1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one has a molecular weight of 372.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one is sourced from PubChem (CID 146089206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).