3-[6-(isoquinoline-1-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one

C24H29N3O2 — CID 154579648

IUPAC3-[6-(isoquinoline-1-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCC1CN(C(=O)c2nccc3ccccc23)CC12CCC2)N1CCCC1
InChIInChI=1S/C24H29N3O2/c28-21(26-14-3-4-15-26)9-8-19-16-27(17-24(19)11-5-12-24)23(29)22-20-7-2-1-6-18(20)10-13-25-22/h1-2,6-7,10,13,19H,3-5,8-9,11-12,14-17H2
InChIKeyRPHFYPKPLVVDDD-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.88
Rot. Bonds4

About 3-[6-(isoquinoline-1-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[6-(isoquinoline-1-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 154579648) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-[6-(isoquinoline-1-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[6-(isoquinoline-1-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID154579648
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-[6-(isoquinoline-1-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCC1CN(C(=O)c2nccc3ccccc23)CC12CCC2)N1CCCC1
InChIInChI=1S/C24H29N3O2/c28-21(26-14-3-4-15-26)9-8-19-16-27(17-24(19)11-5-12-24)23(29)22-20-7-2-1-6-18(20)10-13-25-22/h1-2,6-7,10,13,19H,3-5,8-9,11-12,14-17H2
InChIKeyRPHFYPKPLVVDDD-UHFFFAOYSA-N
XLogP3.88
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[6-(isoquinoline-1-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

3-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579662
3-[6-(3-methoxybenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579632
3-[6-(cyclobutanecarbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579644
3-[6-(2-cyclopropylacetyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579663
3-[6-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579685
1-pyrrolidin-1-yl-3-[6-(1,3,5-trimethylpyrazole-4-carbonyl)-6-azaspiro[3.4]octan-8-yl]propan-1-one
CID 154579691
3-[6-[2-(4-methylphenyl)acetyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579700
1-(azepan-1-yl)-2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethanone
CID 60602385
4-methyl-1-[8-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-azaspiro[3.4]octan-6-yl]pentan-1-one
CID 154579649
3-cyclohexyl-1-[8-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-azaspiro[3.4]octan-6-yl]propan-1-one
CID 154579640
[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
CID 107224794
(3,4-dihydroxypyrrolidin-1-yl)-isoquinolin-1-ylmethanone
CID 106671738

Frequently Asked Questions

What is the IUPAC name of 3-[6-(isoquinoline-1-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[6-(isoquinoline-1-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 154579648) is 3-[6-(isoquinoline-1-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[6-(isoquinoline-1-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[6-(isoquinoline-1-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCC1CN(C(=O)c2nccc3ccccc23)CC12CCC2)N1CCCC1.
What is the InChIKey of 3-[6-(isoquinoline-1-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is RPHFYPKPLVVDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-21(26-14-3-4-15-26)9-8-19-16-27(17-24(19)11-5-12-24)23(29)22-20-7-2-1-6-18(20)10-13-25-22/h1-2,6-7,10,13,19H,3-5,8-9,11-12,14-17H2.
What are the key properties of 3-[6-(isoquinoline-1-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[6-(isoquinoline-1-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 391.52 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(isoquinoline-1-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 154579648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).