1-[2-[3-[3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one

C28H31N3O3 — CID 132773007

IUPAC1-[2-[3-[3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1cccc(C(=O)N2CCCC(Cc3cccc4cccnc34)C2)c1
InChIInChI=1S/C28H31N3O3/c32-26-12-5-14-30(26)16-17-34-25-11-2-9-24(19-25)28(33)31-15-4-6-21(20-31)18-23-8-1-7-22-10-3-13-29-27(22)23/h1-3,7-11,13,19,21H,4-6,12,14-18,20H2
InChIKeyXSVBDKMDICFSKQ-UHFFFAOYSA-N
MW457.57 g/mol
LogP4.33
Rot. Bonds7

About 1-[2-[3-[3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one

1-[2-[3-[3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one (PubChem CID 132773007) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 1-[2-[3-[3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-[3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
PubChem CID132773007
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name1-[2-[3-[3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1cccc(C(=O)N2CCCC(Cc3cccc4cccnc34)C2)c1
InChIInChI=1S/C28H31N3O3/c32-26-12-5-14-30(26)16-17-34-25-11-2-9-24(19-25)28(33)31-15-4-6-21(20-31)18-23-8-1-7-22-10-3-13-29-27(22)23/h1-3,7-11,13,19,21H,4-6,12,14-18,20H2
InChIKeyXSVBDKMDICFSKQ-UHFFFAOYSA-N
XLogP4.33
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-[4-(quinolin-4-ylmethyl)azepane-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 110150268
1-[2-[3-[(4S)-4-(isoquinolin-4-ylmethyl)azepane-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 129454058
1-[2-[3-[4-(quinolin-6-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 129458822
1-[[3-[(6R)-4-methyl-6-(quinolin-8-ylmethyl)-1,4-diazepane-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 129453768
pyridazin-4-yl-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 124963944
1-[2-[2-[(3R)-3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 129458474
1-[2-[2-[3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 132773003
(3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 110149381
pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone
CID 95828404
(2-methoxy-3-pyridinyl)-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 125000469
(1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 124972215
1-[2-[3-[(3aR,4R,6aS)-4-[(2-chlorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 110138756

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[3-[3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one (CID 132773007) is 1-[2-[3-[3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[3-[3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[3-[3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one is O=C1CCCN1CCOc1cccc(C(=O)N2CCCC(Cc3cccc4cccnc34)C2)c1.
What is the InChIKey of 1-[2-[3-[3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
The InChIKey is XSVBDKMDICFSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c32-26-12-5-14-30(26)16-17-34-25-11-2-9-24(19-25)28(33)31-15-4-6-21(20-31)18-23-8-1-7-22-10-3-13-29-27(22)23/h1-3,7-11,13,19,21H,4-6,12,14-18,20H2.
What are the key properties of 1-[2-[3-[3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one?
1-[2-[3-[3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one has a molecular weight of 457.57 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 132773007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).