6-bromo-8-methyl-2-morpholin-4-yl-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one

C20H25BrN2O4 — CID 21460246

IUPAC6-bromo-8-methyl-2-morpholin-4-yl-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one
SMILESCc1c(OCCN2CCCC2)c(Br)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C20H25BrN2O4/c1-14-19-15(17(24)13-18(27-19)23-7-9-25-10-8-23)12-16(21)20(14)26-11-6-22-4-2-3-5-22/h12-13H,2-11H2,1H3
InChIKeyATMLLWXVVSBPRO-UHFFFAOYSA-N
MW437.33 g/mol
LogP3.18
Rot. Bonds5

About 6-bromo-8-methyl-2-morpholin-4-yl-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one

6-bromo-8-methyl-2-morpholin-4-yl-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one (PubChem CID 21460246) has the molecular formula C20H25BrN2O4 and a molecular weight of 437.33 g/mol. Its IUPAC name is 6-bromo-8-methyl-2-morpholin-4-yl-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one.

Molecular Properties

Compound Name6-bromo-8-methyl-2-morpholin-4-yl-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one
PubChem CID21460246
Molecular FormulaC20H25BrN2O4
Molecular Weight437.33 g/mol
Exact Mass436.10
IUPAC Name6-bromo-8-methyl-2-morpholin-4-yl-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one
SMILESCc1c(OCCN2CCCC2)c(Br)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C20H25BrN2O4/c1-14-19-15(17(24)13-18(27-19)23-7-9-25-10-8-23)12-16(21)20(14)26-11-6-22-4-2-3-5-22/h12-13H,2-11H2,1H3
InChIKeyATMLLWXVVSBPRO-UHFFFAOYSA-N
XLogP3.18
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-2-morpholin-4-yl-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one?
The IUPAC name of 6-bromo-8-methyl-2-morpholin-4-yl-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one (CID 21460246) is 6-bromo-8-methyl-2-morpholin-4-yl-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one.
What is the SMILES notation for 6-bromo-8-methyl-2-morpholin-4-yl-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one?
The canonical SMILES for 6-bromo-8-methyl-2-morpholin-4-yl-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one is Cc1c(OCCN2CCCC2)c(Br)cc2c(=O)cc(N3CCOCC3)oc12.
What is the InChIKey of 6-bromo-8-methyl-2-morpholin-4-yl-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one?
The InChIKey is ATMLLWXVVSBPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O4/c1-14-19-15(17(24)13-18(27-19)23-7-9-25-10-8-23)12-16(21)20(14)26-11-6-22-4-2-3-5-22/h12-13H,2-11H2,1H3.
What are the key properties of 6-bromo-8-methyl-2-morpholin-4-yl-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one?
6-bromo-8-methyl-2-morpholin-4-yl-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one has a molecular weight of 437.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methyl-2-morpholin-4-yl-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one is sourced from PubChem (CID 21460246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).