4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one

C23H32N2O4 — CID 47810477

IUPAC4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one
SMILESCCc1cc2c(CN3CCCC3CN3CC(C)OC(C)C3)cc(=O)oc2cc1O
InChIInChI=1S/C23H32N2O4/c1-4-17-8-20-18(9-23(27)29-22(20)10-21(17)26)13-25-7-5-6-19(25)14-24-11-15(2)28-16(3)12-24/h8-10,15-16,19,26H,4-7,11-14H2,1-3H3
InChIKeyMOEKVLVZBGZSFO-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.13
Rot. Bonds5

About 4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one

4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one (PubChem CID 47810477) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one.

Molecular Properties

Compound Name4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one
PubChem CID47810477
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one
SMILESCCc1cc2c(CN3CCCC3CN3CC(C)OC(C)C3)cc(=O)oc2cc1O
InChIInChI=1S/C23H32N2O4/c1-4-17-8-20-18(9-23(27)29-22(20)10-21(17)26)13-25-7-5-6-19(25)14-24-11-15(2)28-16(3)12-24/h8-10,15-16,19,26H,4-7,11-14H2,1-3H3
InChIKeyMOEKVLVZBGZSFO-UHFFFAOYSA-N
XLogP3.13
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethyl-4-[[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]chromen-2-one
CID 50983259
4-(azepan-1-ylmethyl)-6-ethyl-7-hydroxychromen-2-one
CID 6215531
6-ethyl-7-hydroxy-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]chromen-2-one
CID 9446257
6-ethyl-7-hydroxy-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]chromen-2-one
CID 9446259
4-[[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]-6-ethyl-7-hydroxychromen-2-one
CID 99774676
7-ethyl-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]chromen-2-one
CID 110880993
6-ethyl-7-hydroxy-4-[[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methyl]chromen-2-one
CID 55520069
(2R,6R)-4-[[(2R)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
CID 100855691
4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-ethylchromen-2-one
CID 7198589
6-[[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 100848655
6-ethyl-7-hydroxy-4-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]chromen-2-one
CID 9256632
8-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-[1,3]dioxolo[4,5-g]chromen-6-one
CID 3335950

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one?
The IUPAC name of 4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one (CID 47810477) is 4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one.
What is the SMILES notation for 4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one?
The canonical SMILES for 4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one is CCc1cc2c(CN3CCCC3CN3CC(C)OC(C)C3)cc(=O)oc2cc1O.
What is the InChIKey of 4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one?
The InChIKey is MOEKVLVZBGZSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-4-17-8-20-18(9-23(27)29-22(20)10-21(17)26)13-25-7-5-6-19(25)14-24-11-15(2)28-16(3)12-24/h8-10,15-16,19,26H,4-7,11-14H2,1-3H3.
What are the key properties of 4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one?
4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one has a molecular weight of 400.52 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one is sourced from PubChem (CID 47810477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).