1-[2-[5-(propan-2-yloxymethyl)quinolin-8-yl]oxyethyl]pyrrolidin-2-one

C19H24N2O3 — CID 23907643

IUPAC1-[2-[5-(propan-2-yloxymethyl)quinolin-8-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(C)OCc1ccc(OCCN2CCCC2=O)c2ncccc12
InChIInChI=1S/C19H24N2O3/c1-14(2)24-13-15-7-8-17(19-16(15)5-3-9-20-19)23-12-11-21-10-4-6-18(21)22/h3,5,7-9,14H,4,6,10-13H2,1-2H3
InChIKeyUHAKZVZOJNLOFJ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.16
Rot. Bonds7

About 1-[2-[5-(propan-2-yloxymethyl)quinolin-8-yl]oxyethyl]pyrrolidin-2-one

1-[2-[5-(propan-2-yloxymethyl)quinolin-8-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 23907643) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[2-[5-(propan-2-yloxymethyl)quinolin-8-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[5-(propan-2-yloxymethyl)quinolin-8-yl]oxyethyl]pyrrolidin-2-one
PubChem CID23907643
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[2-[5-(propan-2-yloxymethyl)quinolin-8-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(C)OCc1ccc(OCCN2CCCC2=O)c2ncccc12
InChIInChI=1S/C19H24N2O3/c1-14(2)24-13-15-7-8-17(19-16(15)5-3-9-20-19)23-12-11-21-10-4-6-18(21)22/h3,5,7-9,14H,4,6,10-13H2,1-2H3
InChIKeyUHAKZVZOJNLOFJ-UHFFFAOYSA-N
XLogP3.16
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
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1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one
CID 168530961
1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one
CID 43253927
1-[2-[(4-methyl-2-pyridinyl)oxy]ethyl]pyrrolidin-2-one
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1-[2-[1-(furan-3-yl)naphthalen-2-yl]oxyethyl]pyrrolidin-2-one
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CID 170879211
1-[2-[2-[(1R)-1-amino-2-hydroxyethyl]phenoxy]ethyl]pyrrolidin-2-one
CID 66515853

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(propan-2-yloxymethyl)quinolin-8-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[5-(propan-2-yloxymethyl)quinolin-8-yl]oxyethyl]pyrrolidin-2-one (CID 23907643) is 1-[2-[5-(propan-2-yloxymethyl)quinolin-8-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[5-(propan-2-yloxymethyl)quinolin-8-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[5-(propan-2-yloxymethyl)quinolin-8-yl]oxyethyl]pyrrolidin-2-one is CC(C)OCc1ccc(OCCN2CCCC2=O)c2ncccc12.
What is the InChIKey of 1-[2-[5-(propan-2-yloxymethyl)quinolin-8-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is UHAKZVZOJNLOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14(2)24-13-15-7-8-17(19-16(15)5-3-9-20-19)23-12-11-21-10-4-6-18(21)22/h3,5,7-9,14H,4,6,10-13H2,1-2H3.
What are the key properties of 1-[2-[5-(propan-2-yloxymethyl)quinolin-8-yl]oxyethyl]pyrrolidin-2-one?
1-[2-[5-(propan-2-yloxymethyl)quinolin-8-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 328.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(propan-2-yloxymethyl)quinolin-8-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 23907643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).