methyl 3-[(2-morpholin-4-yl-4-oxochromen-7-yl)oxymethyl]benzoate

C22H21NO6 — CID 11552974

IUPACmethyl 3-[(2-morpholin-4-yl-4-oxochromen-7-yl)oxymethyl]benzoate
SMILESCOC(=O)c1cccc(COc2ccc3c(=O)cc(N4CCOCC4)oc3c2)c1
InChIInChI=1S/C22H21NO6/c1-26-22(25)16-4-2-3-15(11-16)14-28-17-5-6-18-19(24)13-21(29-20(18)12-17)23-7-9-27-10-8-23/h2-6,11-13H,7-10,14H2,1H3
InChIKeyHNPSKFJZKVFBQJ-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.00
Rot. Bonds5

About methyl 3-[(2-morpholin-4-yl-4-oxochromen-7-yl)oxymethyl]benzoate

methyl 3-[(2-morpholin-4-yl-4-oxochromen-7-yl)oxymethyl]benzoate (PubChem CID 11552974) has the molecular formula C22H21NO6 and a molecular weight of 395.41 g/mol. Its IUPAC name is methyl 3-[(2-morpholin-4-yl-4-oxochromen-7-yl)oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-morpholin-4-yl-4-oxochromen-7-yl)oxymethyl]benzoate
PubChem CID11552974
Molecular FormulaC22H21NO6
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Namemethyl 3-[(2-morpholin-4-yl-4-oxochromen-7-yl)oxymethyl]benzoate
SMILESCOC(=O)c1cccc(COc2ccc3c(=O)cc(N4CCOCC4)oc3c2)c1
InChIInChI=1S/C22H21NO6/c1-26-22(25)16-4-2-3-15(11-16)14-28-17-5-6-18-19(24)13-21(29-20(18)12-17)23-7-9-27-10-8-23/h2-6,11-13H,7-10,14H2,1H3
InChIKeyHNPSKFJZKVFBQJ-UHFFFAOYSA-N
XLogP3.00
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

CID 3354
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CID 3973
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CID 441345
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CID 65687
CID 65687
CID 11715743
CID 11715743
CID 135750
CID 135750
CID 5281392
CID 5281392
CID 11448366
CID 11448366
CID 11522900
CID 11522900
CID 11710022
CID 11710022
CID 14101447
CID 14101447
CID 135126189
CID 135126189

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-morpholin-4-yl-4-oxochromen-7-yl)oxymethyl]benzoate?
The IUPAC name of methyl 3-[(2-morpholin-4-yl-4-oxochromen-7-yl)oxymethyl]benzoate (CID 11552974) is methyl 3-[(2-morpholin-4-yl-4-oxochromen-7-yl)oxymethyl]benzoate.
What is the SMILES notation for methyl 3-[(2-morpholin-4-yl-4-oxochromen-7-yl)oxymethyl]benzoate?
The canonical SMILES for methyl 3-[(2-morpholin-4-yl-4-oxochromen-7-yl)oxymethyl]benzoate is COC(=O)c1cccc(COc2ccc3c(=O)cc(N4CCOCC4)oc3c2)c1.
What is the InChIKey of methyl 3-[(2-morpholin-4-yl-4-oxochromen-7-yl)oxymethyl]benzoate?
The InChIKey is HNPSKFJZKVFBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO6/c1-26-22(25)16-4-2-3-15(11-16)14-28-17-5-6-18-19(24)13-21(29-20(18)12-17)23-7-9-27-10-8-23/h2-6,11-13H,7-10,14H2,1H3.
What are the key properties of methyl 3-[(2-morpholin-4-yl-4-oxochromen-7-yl)oxymethyl]benzoate?
methyl 3-[(2-morpholin-4-yl-4-oxochromen-7-yl)oxymethyl]benzoate has a molecular weight of 395.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-morpholin-4-yl-4-oxochromen-7-yl)oxymethyl]benzoate is sourced from PubChem (CID 11552974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).