isoquinolin-1-yl-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

C21H27N3O2 — CID 56892672

IUPACisoquinolin-1-yl-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCOCCN1CCCC2(CCN(C(=O)c3nccc4ccccc34)C2)C1
InChIInChI=1S/C21H27N3O2/c1-26-14-13-23-11-4-8-21(15-23)9-12-24(16-21)20(25)19-18-6-3-2-5-17(18)7-10-22-19/h2-3,5-7,10H,4,8-9,11-16H2,1H3
InChIKeyXRLBWLFMEGNOHN-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.81
Rot. Bonds4

About isoquinolin-1-yl-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

isoquinolin-1-yl-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 56892672) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is isoquinolin-1-yl-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Nameisoquinolin-1-yl-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID56892672
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Nameisoquinolin-1-yl-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCOCCN1CCCC2(CCN(C(=O)c3nccc4ccccc34)C2)C1
InChIInChI=1S/C21H27N3O2/c1-26-14-13-23-11-4-8-21(15-23)9-12-24(16-21)20(25)19-18-6-3-2-5-17(18)7-10-22-19/h2-3,5-7,10H,4,8-9,11-16H2,1H3
InChIKeyXRLBWLFMEGNOHN-UHFFFAOYSA-N
XLogP2.81
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-methylindol-3-yl)ethanone
CID 56895188
(5S)-9-(2-methoxyethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 95713598
[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone
CID 97483411
(6-methyl-3-pyridinyl)-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649232
[(5S)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyridin-2-ylmethanone
CID 97472032
(2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45195685
3-[4-(isoquinoline-1-carbonyl)-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91654003
2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 131651444
isoquinolin-1-yl-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone
CID 71852203
[8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
CID 97385388
3-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
CID 131655214
(5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45199217

Frequently Asked Questions

What is the IUPAC name of isoquinolin-1-yl-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of isoquinolin-1-yl-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 56892672) is isoquinolin-1-yl-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for isoquinolin-1-yl-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for isoquinolin-1-yl-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is COCCN1CCCC2(CCN(C(=O)c3nccc4ccccc34)C2)C1.
What is the InChIKey of isoquinolin-1-yl-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is XRLBWLFMEGNOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-26-14-13-23-11-4-8-21(15-23)9-12-24(16-21)20(25)19-18-6-3-2-5-17(18)7-10-22-19/h2-3,5-7,10H,4,8-9,11-16H2,1H3.
What are the key properties of isoquinolin-1-yl-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
isoquinolin-1-yl-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-1-yl-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 56892672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).