5-[1-(cyclobutyloxymethyl)-7-oxo-6,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one

C22H25NO3 — CID 152809643

IUPAC5-[1-(cyclobutyloxymethyl)-7-oxo-6,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc3c(c2COC2CCC2)CC(=O)CC3)cn(C)c1=O
InChIInChI=1S/C22H25NO3/c1-14-10-16(12-23(2)22(14)25)19-9-7-15-6-8-17(24)11-20(15)21(19)13-26-18-4-3-5-18/h7,9-10,12,18H,3-6,8,11,13H2,1-2H3
InChIKeySQJNMTRGIURCRD-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.49
Rot. Bonds4

About 5-[1-(cyclobutyloxymethyl)-7-oxo-6,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one

5-[1-(cyclobutyloxymethyl)-7-oxo-6,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one (PubChem CID 152809643) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-[1-(cyclobutyloxymethyl)-7-oxo-6,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[1-(cyclobutyloxymethyl)-7-oxo-6,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one
PubChem CID152809643
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name5-[1-(cyclobutyloxymethyl)-7-oxo-6,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc3c(c2COC2CCC2)CC(=O)CC3)cn(C)c1=O
InChIInChI=1S/C22H25NO3/c1-14-10-16(12-23(2)22(14)25)19-9-7-15-6-8-17(24)11-20(15)21(19)13-26-18-4-3-5-18/h7,9-10,12,18H,3-6,8,11,13H2,1-2H3
InChIKeySQJNMTRGIURCRD-UHFFFAOYSA-N
XLogP3.49
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[1-(cyclobutyloxymethyl)-7-oxo-6,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one with MolForge

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Related Compounds

5-[4-(cyclopentyloxymethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one
CID 158074275
8-(cyclopentyloxymethyl)-7-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587591
5-(4-benzyl-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-1,3-dimethylpyridin-2-one
CID 149362896
7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 147626110
6-chloro-5-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-one;1,3-dimethyl-5-[6-oxo-1-(pyridin-3-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
CID 159983087
5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one
CID 118022252
1,3-dimethyl-5-[6-oxo-4-(1,3-thiazol-2-ylmethoxy)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
CID 148625500
6-bromo-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-2-one;1,3-dimethyl-5-[4-(1,3-oxazol-2-ylmethoxy)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
CID 159929180
8-cyclohexyloxy-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587449
7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 146807908
chlorocyclobutane;5-(4-ethyl-3-methoxyphenyl)-1,3-dimethylpyridin-2-one
CID 145148149
5-[2-(4,4-difluorocyclohexyl)oxy-5-(hydroxymethyl)phenyl]-1,3-dimethylpyridin-2-one
CID 123566879

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclobutyloxymethyl)-7-oxo-6,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[1-(cyclobutyloxymethyl)-7-oxo-6,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one (CID 152809643) is 5-[1-(cyclobutyloxymethyl)-7-oxo-6,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[1-(cyclobutyloxymethyl)-7-oxo-6,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[1-(cyclobutyloxymethyl)-7-oxo-6,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2ccc3c(c2COC2CCC2)CC(=O)CC3)cn(C)c1=O.
What is the InChIKey of 5-[1-(cyclobutyloxymethyl)-7-oxo-6,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is SQJNMTRGIURCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-14-10-16(12-23(2)22(14)25)19-9-7-15-6-8-17(24)11-20(15)21(19)13-26-18-4-3-5-18/h7,9-10,12,18H,3-6,8,11,13H2,1-2H3.
What are the key properties of 5-[1-(cyclobutyloxymethyl)-7-oxo-6,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one?
5-[1-(cyclobutyloxymethyl)-7-oxo-6,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 351.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclobutyloxymethyl)-7-oxo-6,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 152809643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).