1-pyrrolidin-1-yl-2-quinolin-3-yloxyethanone

C15H16N2O2 — CID 110487998

IUPAC1-pyrrolidin-1-yl-2-quinolin-3-yloxyethanone
SMILESO=C(COc1cnc2ccccc2c1)N1CCCC1
InChIInChI=1S/C15H16N2O2/c18-15(17-7-3-4-8-17)11-19-13-9-12-5-1-2-6-14(12)16-10-13/h1-2,5-6,9-10H,3-4,7-8,11H2
InChIKeyLFTLUAAXABQDRH-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.24
Rot. Bonds3

About 1-pyrrolidin-1-yl-2-quinolin-3-yloxyethanone

1-pyrrolidin-1-yl-2-quinolin-3-yloxyethanone (PubChem CID 110487998) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-quinolin-3-yloxyethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-quinolin-3-yloxyethanone
PubChem CID110487998
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-pyrrolidin-1-yl-2-quinolin-3-yloxyethanone
SMILESO=C(COc1cnc2ccccc2c1)N1CCCC1
InChIInChI=1S/C15H16N2O2/c18-15(17-7-3-4-8-17)11-19-13-9-12-5-1-2-6-14(12)16-10-13/h1-2,5-6,9-10H,3-4,7-8,11H2
InChIKeyLFTLUAAXABQDRH-UHFFFAOYSA-N
XLogP2.24
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone
CID 112978586
1-(azepan-1-yl)-2-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-ium-1-yl]ethanone
CID 9209259
1-(azepan-1-yl)-2-[(6-bromo-3-pyridinyl)oxy]ethanone
CID 71853625
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-1-piperidin-1-ylethanone
CID 79800097
2-(3,4-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 2995974
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1333542
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 43143553
2-[8-(2-naphthalen-2-yloxyacetyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone
CID 131678955
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
N-prop-2-enyl-2-quinolin-3-yloxyacetamide
CID 110487984

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-quinolin-3-yloxyethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-quinolin-3-yloxyethanone (CID 110487998) is 1-pyrrolidin-1-yl-2-quinolin-3-yloxyethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-quinolin-3-yloxyethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-quinolin-3-yloxyethanone is O=C(COc1cnc2ccccc2c1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-quinolin-3-yloxyethanone?
The InChIKey is LFTLUAAXABQDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(17-7-3-4-8-17)11-19-13-9-12-5-1-2-6-14(12)16-10-13/h1-2,5-6,9-10H,3-4,7-8,11H2.
What are the key properties of 1-pyrrolidin-1-yl-2-quinolin-3-yloxyethanone?
1-pyrrolidin-1-yl-2-quinolin-3-yloxyethanone has a molecular weight of 256.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-quinolin-3-yloxyethanone is sourced from PubChem (CID 110487998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).