4-[2-(azepan-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one

C19H24N2O3 — CID 3242133

IUPAC4-[2-(azepan-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one
SMILESCCn1c(=O)cc(OCC(=O)N2CCCCCC2)c2ccccc21
InChIInChI=1S/C19H24N2O3/c1-2-21-16-10-6-5-9-15(16)17(13-18(21)22)24-14-19(23)20-11-7-3-4-8-12-20/h5-6,9-10,13H,2-4,7-8,11-12,14H2,1H3
InChIKeyCFXRSHHBIMNELZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.80
Rot. Bonds4

About 4-[2-(azepan-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one

4-[2-(azepan-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one (PubChem CID 3242133) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-[2-(azepan-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one.

Molecular Properties

Compound Name4-[2-(azepan-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one
PubChem CID3242133
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-[2-(azepan-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one
SMILESCCn1c(=O)cc(OCC(=O)N2CCCCCC2)c2ccccc21
InChIInChI=1S/C19H24N2O3/c1-2-21-16-10-6-5-9-15(16)17(13-18(21)22)24-14-19(23)20-11-7-3-4-8-12-20/h5-6,9-10,13H,2-4,7-8,11-12,14H2,1H3
InChIKeyCFXRSHHBIMNELZ-UHFFFAOYSA-N
XLogP2.80
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(azepan-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one?
The IUPAC name of 4-[2-(azepan-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one (CID 3242133) is 4-[2-(azepan-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one.
What is the SMILES notation for 4-[2-(azepan-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one?
The canonical SMILES for 4-[2-(azepan-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one is CCn1c(=O)cc(OCC(=O)N2CCCCCC2)c2ccccc21.
What is the InChIKey of 4-[2-(azepan-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one?
The InChIKey is CFXRSHHBIMNELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-21-16-10-6-5-9-15(16)17(13-18(21)22)24-14-19(23)20-11-7-3-4-8-12-20/h5-6,9-10,13H,2-4,7-8,11-12,14H2,1H3.
What are the key properties of 4-[2-(azepan-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one?
4-[2-(azepan-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one has a molecular weight of 328.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azepan-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one is sourced from PubChem (CID 3242133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).