1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-naphthalen-2-ylpyridin-2-one

C27H22N2O3 — CID 59843103

IUPAC1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-naphthalen-2-ylpyridin-2-one
SMILESCOc1ccc2c(OCCn3cc(-c4ccc5ccccc5c4)ccc3=O)ccnc2c1
InChIInChI=1S/C27H22N2O3/c1-31-23-9-10-24-25(17-23)28-13-12-26(24)32-15-14-29-18-22(8-11-27(29)30)21-7-6-19-4-2-3-5-20(19)16-21/h2-13,16-18H,14-15H2,1H3
InChIKeyKUNZINKPHXTGJF-UHFFFAOYSA-N
MW422.48 g/mol
LogP5.30
Rot. Bonds6

About 1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-naphthalen-2-ylpyridin-2-one

1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-naphthalen-2-ylpyridin-2-one (PubChem CID 59843103) has the molecular formula C27H22N2O3 and a molecular weight of 422.48 g/mol. Its IUPAC name is 1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-naphthalen-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-naphthalen-2-ylpyridin-2-one
PubChem CID59843103
Molecular FormulaC27H22N2O3
Molecular Weight422.48 g/mol
Exact Mass422.16
IUPAC Name1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-naphthalen-2-ylpyridin-2-one
SMILESCOc1ccc2c(OCCn3cc(-c4ccc5ccccc5c4)ccc3=O)ccnc2c1
InChIInChI=1S/C27H22N2O3/c1-31-23-9-10-24-25(17-23)28-13-12-26(24)32-15-14-29-18-22(8-11-27(29)30)21-7-6-19-4-2-3-5-20(19)16-21/h2-13,16-18H,14-15H2,1H3
InChIKeyKUNZINKPHXTGJF-UHFFFAOYSA-N
XLogP5.30
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-naphthalen-2-ylpyridin-2-one?
The IUPAC name of 1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-naphthalen-2-ylpyridin-2-one (CID 59843103) is 1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-naphthalen-2-ylpyridin-2-one.
What is the SMILES notation for 1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-naphthalen-2-ylpyridin-2-one?
The canonical SMILES for 1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-naphthalen-2-ylpyridin-2-one is COc1ccc2c(OCCn3cc(-c4ccc5ccccc5c4)ccc3=O)ccnc2c1.
What is the InChIKey of 1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-naphthalen-2-ylpyridin-2-one?
The InChIKey is KUNZINKPHXTGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3/c1-31-23-9-10-24-25(17-23)28-13-12-26(24)32-15-14-29-18-22(8-11-27(29)30)21-7-6-19-4-2-3-5-20(19)16-21/h2-13,16-18H,14-15H2,1H3.
What are the key properties of 1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-naphthalen-2-ylpyridin-2-one?
1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-naphthalen-2-ylpyridin-2-one has a molecular weight of 422.48 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-naphthalen-2-ylpyridin-2-one is sourced from PubChem (CID 59843103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).