6-(8-fluoronaphthalen-2-yl)-3-(3-methyl-1-morpholin-4-ylbutan-2-yl)-1H-pyridin-2-one

C24H27FN2O2 — CID 137477638

IUPAC6-(8-fluoronaphthalen-2-yl)-3-(3-methyl-1-morpholin-4-ylbutan-2-yl)-1H-pyridin-2-one
SMILESCC(C)C(CN1CCOCC1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C24H27FN2O2/c1-16(2)21(15-27-10-12-29-13-11-27)19-8-9-23(26-24(19)28)18-7-6-17-4-3-5-22(25)20(17)14-18/h3-9,14,16,21H,10-13,15H2,1-2H3,(H,26,28)
InChIKeyQOPIEBJDGZSTAY-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.41
Rot. Bonds5

About 6-(8-fluoronaphthalen-2-yl)-3-(3-methyl-1-morpholin-4-ylbutan-2-yl)-1H-pyridin-2-one

6-(8-fluoronaphthalen-2-yl)-3-(3-methyl-1-morpholin-4-ylbutan-2-yl)-1H-pyridin-2-one (PubChem CID 137477638) has the molecular formula C24H27FN2O2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 6-(8-fluoronaphthalen-2-yl)-3-(3-methyl-1-morpholin-4-ylbutan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(8-fluoronaphthalen-2-yl)-3-(3-methyl-1-morpholin-4-ylbutan-2-yl)-1H-pyridin-2-one
PubChem CID137477638
Molecular FormulaC24H27FN2O2
Molecular Weight394.49 g/mol
Exact Mass394.21
IUPAC Name6-(8-fluoronaphthalen-2-yl)-3-(3-methyl-1-morpholin-4-ylbutan-2-yl)-1H-pyridin-2-one
SMILESCC(C)C(CN1CCOCC1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C24H27FN2O2/c1-16(2)21(15-27-10-12-29-13-11-27)19-8-9-23(26-24(19)28)18-7-6-17-4-3-5-22(25)20(17)14-18/h3-9,14,16,21H,10-13,15H2,1-2H3,(H,26,28)
InChIKeyQOPIEBJDGZSTAY-UHFFFAOYSA-N
XLogP4.41
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-(3-methyl-1-morpholin-4-ylbutan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-(3-methyl-1-morpholin-4-ylbutan-2-yl)-1H-pyridin-2-one (CID 137477638) is 6-(8-fluoronaphthalen-2-yl)-3-(3-methyl-1-morpholin-4-ylbutan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(8-fluoronaphthalen-2-yl)-3-(3-methyl-1-morpholin-4-ylbutan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-(8-fluoronaphthalen-2-yl)-3-(3-methyl-1-morpholin-4-ylbutan-2-yl)-1H-pyridin-2-one is CC(C)C(CN1CCOCC1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of 6-(8-fluoronaphthalen-2-yl)-3-(3-methyl-1-morpholin-4-ylbutan-2-yl)-1H-pyridin-2-one?
The InChIKey is QOPIEBJDGZSTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2/c1-16(2)21(15-27-10-12-29-13-11-27)19-8-9-23(26-24(19)28)18-7-6-17-4-3-5-22(25)20(17)14-18/h3-9,14,16,21H,10-13,15H2,1-2H3,(H,26,28).
What are the key properties of 6-(8-fluoronaphthalen-2-yl)-3-(3-methyl-1-morpholin-4-ylbutan-2-yl)-1H-pyridin-2-one?
6-(8-fluoronaphthalen-2-yl)-3-(3-methyl-1-morpholin-4-ylbutan-2-yl)-1H-pyridin-2-one has a molecular weight of 394.49 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-fluoronaphthalen-2-yl)-3-(3-methyl-1-morpholin-4-ylbutan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 137477638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).