2-morpholin-4-yl-8-[3-(1H-pyrrol-3-yl)phenyl]chromen-4-one

C23H20N2O3 — CID 44562529

IUPAC2-morpholin-4-yl-8-[3-(1H-pyrrol-3-yl)phenyl]chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4cc[nH]c4)c3)cccc12
InChIInChI=1S/C23H20N2O3/c26-21-14-22(25-9-11-27-12-10-25)28-23-19(5-2-6-20(21)23)17-4-1-3-16(13-17)18-7-8-24-15-18/h1-8,13-15,24H,9-12H2
InChIKeyCZGJBGZAXDTRPE-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.29
Rot. Bonds3

About 2-morpholin-4-yl-8-[3-(1H-pyrrol-3-yl)phenyl]chromen-4-one

2-morpholin-4-yl-8-[3-(1H-pyrrol-3-yl)phenyl]chromen-4-one (PubChem CID 44562529) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-morpholin-4-yl-8-[3-(1H-pyrrol-3-yl)phenyl]chromen-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-8-[3-(1H-pyrrol-3-yl)phenyl]chromen-4-one
PubChem CID44562529
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name2-morpholin-4-yl-8-[3-(1H-pyrrol-3-yl)phenyl]chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4cc[nH]c4)c3)cccc12
InChIInChI=1S/C23H20N2O3/c26-21-14-22(25-9-11-27-12-10-25)28-23-19(5-2-6-20(21)23)17-4-1-3-16(13-17)18-7-8-24-15-18/h1-8,13-15,24H,9-12H2
InChIKeyCZGJBGZAXDTRPE-UHFFFAOYSA-N
XLogP4.29
TPSA58.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-8-[3-(1H-pyrrol-3-yl)phenyl]chromen-4-one?
The IUPAC name of 2-morpholin-4-yl-8-[3-(1H-pyrrol-3-yl)phenyl]chromen-4-one (CID 44562529) is 2-morpholin-4-yl-8-[3-(1H-pyrrol-3-yl)phenyl]chromen-4-one.
What is the SMILES notation for 2-morpholin-4-yl-8-[3-(1H-pyrrol-3-yl)phenyl]chromen-4-one?
The canonical SMILES for 2-morpholin-4-yl-8-[3-(1H-pyrrol-3-yl)phenyl]chromen-4-one is O=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4cc[nH]c4)c3)cccc12.
What is the InChIKey of 2-morpholin-4-yl-8-[3-(1H-pyrrol-3-yl)phenyl]chromen-4-one?
The InChIKey is CZGJBGZAXDTRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-21-14-22(25-9-11-27-12-10-25)28-23-19(5-2-6-20(21)23)17-4-1-3-16(13-17)18-7-8-24-15-18/h1-8,13-15,24H,9-12H2.
What are the key properties of 2-morpholin-4-yl-8-[3-(1H-pyrrol-3-yl)phenyl]chromen-4-one?
2-morpholin-4-yl-8-[3-(1H-pyrrol-3-yl)phenyl]chromen-4-one has a molecular weight of 372.42 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-8-[3-(1H-pyrrol-3-yl)phenyl]chromen-4-one is sourced from PubChem (CID 44562529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).