7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-8-phenyl-2-oxa-7-azaspiro[4.4]nonane

C24H28N2O2 — CID 176842269

IUPAC7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-8-phenyl-2-oxa-7-azaspiro[4.4]nonane
SMILESCOc1cc(C)c2[nH]ccc2c1CN1CC2(CCOC2)CC1c1ccccc1
InChIInChI=1S/C24H28N2O2/c1-17-12-22(27-2)20(19-8-10-25-23(17)19)14-26-15-24(9-11-28-16-24)13-21(26)18-6-4-3-5-7-18/h3-8,10,12,21,25H,9,11,13-16H2,1-2H3
InChIKeyDJQDJOLCJUZKBS-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.84
Rot. Bonds4

About 7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-8-phenyl-2-oxa-7-azaspiro[4.4]nonane

7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-8-phenyl-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 176842269) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-8-phenyl-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-8-phenyl-2-oxa-7-azaspiro[4.4]nonane
PubChem CID176842269
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-8-phenyl-2-oxa-7-azaspiro[4.4]nonane
SMILESCOc1cc(C)c2[nH]ccc2c1CN1CC2(CCOC2)CC1c1ccccc1
InChIInChI=1S/C24H28N2O2/c1-17-12-22(27-2)20(19-8-10-25-23(17)19)14-26-15-24(9-11-28-16-24)13-21(26)18-6-4-3-5-7-18/h3-8,10,12,21,25H,9,11,13-16H2,1-2H3
InChIKeyDJQDJOLCJUZKBS-UHFFFAOYSA-N
XLogP4.84
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-8-phenyl-2-oxa-7-azaspiro[4.4]nonane with MolForge

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Related Compounds

(6aR)-5-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-phenyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 176842300
(7S)-8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-(4-methylsulfanylphenyl)-1-oxa-8-azaspiro[4.5]decane
CID 174347203
4-[(6S)-7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-oxo-7-azaspiro[3.5]nonan-6-yl]benzoic acid
CID 166158725
4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4,4-dimethylpiperidin-2-yl]benzoic acid
CID 90466446
4-[(6R)-2-fluoro-7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-7-azaspiro[3.5]nonan-6-yl]benzoic acid
CID 168994269
4-[4-fluoro-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]benzoic acid
CID 166158504
4-[[(6R)-6-[4-(difluoromethyl)phenyl]-2,2-difluoro-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole
CID 168994197
8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-7-phenyl-1-oxa-8-azaspiro[4.5]decane
CID 172515578
4-[4-ethyl-4-fluoro-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 166158270
4-[(5R,7S)-8-[[7-methyl-5-(trideuteriomethoxy)-1H-indol-4-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-7-yl]benzoic acid
CID 172515527
2-[[4-[(6S)-2-cyano-7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonan-6-yl]benzoyl]amino]-3-phenylpropanoic acid
CID 170975563
4-[4-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1,4-oxazecan-5-yl]benzoic acid
CID 174345665

Frequently Asked Questions

What is the IUPAC name of 7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-8-phenyl-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-8-phenyl-2-oxa-7-azaspiro[4.4]nonane (CID 176842269) is 7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-8-phenyl-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-8-phenyl-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-8-phenyl-2-oxa-7-azaspiro[4.4]nonane is COc1cc(C)c2[nH]ccc2c1CN1CC2(CCOC2)CC1c1ccccc1.
What is the InChIKey of 7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-8-phenyl-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is DJQDJOLCJUZKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-17-12-22(27-2)20(19-8-10-25-23(17)19)14-26-15-24(9-11-28-16-24)13-21(26)18-6-4-3-5-7-18/h3-8,10,12,21,25H,9,11,13-16H2,1-2H3.
What are the key properties of 7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-8-phenyl-2-oxa-7-azaspiro[4.4]nonane?
7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-8-phenyl-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 376.50 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-8-phenyl-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 176842269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).