1-[[3-[3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl]methyl]pyrrolidin-2-one

C29H31N3O2 — CID 110151049

IUPAC1-[[3-[3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cccc(C(=O)N2C3CCC2CC(Cc2cccc4ncccc24)C3)c1
InChIInChI=1S/C29H31N3O2/c33-28-10-4-14-31(28)19-20-5-1-7-23(15-20)29(34)32-24-11-12-25(32)18-21(17-24)16-22-6-2-9-27-26(22)8-3-13-30-27/h1-3,5-9,13,15,21,24-25H,4,10-12,14,16-19H2
InChIKeyKRZBCVVVOHXTSX-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.98
Rot. Bonds5

About 1-[[3-[3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl]methyl]pyrrolidin-2-one

1-[[3-[3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 110151049) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 1-[[3-[3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-[3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID110151049
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC Name1-[[3-[3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cccc(C(=O)N2C3CCC2CC(Cc2cccc4ncccc24)C3)c1
InChIInChI=1S/C29H31N3O2/c33-28-10-4-14-31(28)19-20-5-1-7-23(15-20)29(34)32-24-11-12-25(32)18-21(17-24)16-22-6-2-9-27-26(22)8-3-13-30-27/h1-3,5-9,13,15,21,24-25H,4,10-12,14,16-19H2
InChIKeyKRZBCVVVOHXTSX-UHFFFAOYSA-N
XLogP4.98
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[3-[3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

[3-[(2-methylimidazol-1-yl)methyl]phenyl]-[(1S,5S)-3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 124961994
[3-[(2-methylimidazol-1-yl)methyl]phenyl]-[3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 110150425
1-[[3-[(6R)-4-methyl-6-(quinolin-8-ylmethyl)-1,4-diazepane-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 129453768
N-cyclopentyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9209303
1-[2-[3-[4-(quinolin-4-ylmethyl)azepane-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 110150268
1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid
CID 45340369
(4-benzyloxan-4-yl)-[(1S,5S)-3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 125019041
1-[[3-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 9255772
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
1-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 124589864
1-[[3-[2-(2-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 154762151

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[3-[3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl]methyl]pyrrolidin-2-one (CID 110151049) is 1-[[3-[3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[3-[3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[3-[3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1cccc(C(=O)N2C3CCC2CC(Cc2cccc4ncccc24)C3)c1.
What is the InChIKey of 1-[[3-[3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is KRZBCVVVOHXTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c33-28-10-4-14-31(28)19-20-5-1-7-23(15-20)29(34)32-24-11-12-25(32)18-21(17-24)16-22-6-2-9-27-26(22)8-3-13-30-27/h1-3,5-9,13,15,21,24-25H,4,10-12,14,16-19H2.
What are the key properties of 1-[[3-[3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl]methyl]pyrrolidin-2-one?
1-[[3-[3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 453.59 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 110151049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).