1-[3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one

C17H20N2O2 — CID 146463171

IUPAC1-[3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one
SMILESCC(=O)COC1CC(CCc2ccc3cccnc3n2)C1
InChIInChI=1S/C17H20N2O2/c1-12(20)11-21-16-9-13(10-16)4-6-15-7-5-14-3-2-8-18-17(14)19-15/h2-3,5,7-8,13,16H,4,6,9-11H2,1H3
InChIKeyUSHHKKYYZPTUDF-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.95
Rot. Bonds6

About 1-[3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one

1-[3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one (PubChem CID 146463171) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one.

Molecular Properties

Compound Name1-[3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one
PubChem CID146463171
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one
SMILESCC(=O)COC1CC(CCc2ccc3cccnc3n2)C1
InChIInChI=1S/C17H20N2O2/c1-12(20)11-21-16-9-13(10-16)4-6-15-7-5-14-3-2-8-18-17(14)19-15/h2-3,5,7-8,13,16H,4,6,9-11H2,1H3
InChIKeyUSHHKKYYZPTUDF-UHFFFAOYSA-N
XLogP2.95
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one?
The IUPAC name of 1-[3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one (CID 146463171) is 1-[3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one.
What is the SMILES notation for 1-[3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one?
The canonical SMILES for 1-[3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one is CC(=O)COC1CC(CCc2ccc3cccnc3n2)C1.
What is the InChIKey of 1-[3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one?
The InChIKey is USHHKKYYZPTUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(20)11-21-16-9-13(10-16)4-6-15-7-5-14-3-2-8-18-17(14)19-15/h2-3,5,7-8,13,16H,4,6,9-11H2,1H3.
What are the key properties of 1-[3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one?
1-[3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one has a molecular weight of 284.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one is sourced from PubChem (CID 146463171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).