1-[2-[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one

C22H27N3O2 — CID 133140365

IUPAC1-[2-[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CCOC12CN(Cc1ccc3ccccc3n1)C2
InChIInChI=1S/C22H27N3O2/c26-21-6-3-11-25(21)12-9-18-10-13-27-22(18)15-24(16-22)14-19-8-7-17-4-1-2-5-20(17)23-19/h1-2,4-5,7-8,18H,3,6,9-16H2
InChIKeyVTNNLNHXMRPMNP-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.84
Rot. Bonds5

About 1-[2-[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one

1-[2-[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one (PubChem CID 133140365) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[2-[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one
PubChem CID133140365
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-[2-[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CCOC12CN(Cc1ccc3ccccc3n1)C2
InChIInChI=1S/C22H27N3O2/c26-21-6-3-11-25(21)12-9-18-10-13-27-22(18)15-24(16-22)14-19-8-7-17-4-1-2-5-20(17)23-19/h1-2,4-5,7-8,18H,3,6,9-16H2
InChIKeyVTNNLNHXMRPMNP-UHFFFAOYSA-N
XLogP2.84
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[2-[(8R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one
CID 124820278
1-[2-[2-[(2-chlorophenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 155845487
1-[2-[(8S)-2-cyclopropylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one
CID 124812870
2-[3-oxo-9-(quinolin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 70775919
(8S)-8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124828466
1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one
CID 46981331
8-methoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 171693549
3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 120774118
N,N-dimethyl-2-[[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]acetamide
CID 133141294
(8R)-8-pyridin-3-yloxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124827142
8-pyrimidin-2-yloxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155833354
8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155833679

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one (CID 133140365) is 1-[2-[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCC1CCOC12CN(Cc1ccc3ccccc3n1)C2.
What is the InChIKey of 1-[2-[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one?
The InChIKey is VTNNLNHXMRPMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21-6-3-11-25(21)12-9-18-10-13-27-22(18)15-24(16-22)14-19-8-7-17-4-1-2-5-20(17)23-19/h1-2,4-5,7-8,18H,3,6,9-16H2.
What are the key properties of 1-[2-[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one?
1-[2-[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one has a molecular weight of 365.48 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 133140365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).