2-[7-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylpropan-1-one

C23H24N2O3 — CID 175644715

IUPAC2-[7-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccncc1-c1ccc2ccc(OC(C)C(=O)N3CCCC3)cc2c1
InChIInChI=1S/C23H24N2O3/c1-16(23(26)25-11-3-4-12-25)28-20-8-7-17-5-6-18(13-19(17)14-20)21-15-24-10-9-22(21)27-2/h5-10,13-16H,3-4,11-12H2,1-2H3
InChIKeyCEKOTJQFJDILIJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.30
Rot. Bonds5

About 2-[7-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylpropan-1-one

2-[7-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 175644715) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[7-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[7-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
PubChem CID175644715
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-[7-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccncc1-c1ccc2ccc(OC(C)C(=O)N3CCCC3)cc2c1
InChIInChI=1S/C23H24N2O3/c1-16(23(26)25-11-3-4-12-25)28-20-8-7-17-5-6-18(13-19(17)14-20)21-15-24-10-9-22(21)27-2/h5-10,13-16H,3-4,11-12H2,1-2H3
InChIKeyCEKOTJQFJDILIJ-UHFFFAOYSA-N
XLogP4.30
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[7-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylpropan-1-one (CID 175644715) is 2-[7-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[7-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[7-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylpropan-1-one is COc1ccncc1-c1ccc2ccc(OC(C)C(=O)N3CCCC3)cc2c1.
What is the InChIKey of 2-[7-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is CEKOTJQFJDILIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16(23(26)25-11-3-4-12-25)28-20-8-7-17-5-6-18(13-19(17)14-20)21-15-24-10-9-22(21)27-2/h5-10,13-16H,3-4,11-12H2,1-2H3.
What are the key properties of 2-[7-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylpropan-1-one?
2-[7-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 376.46 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 175644715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).