3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one

C22H21NO6 — CID 8741325

IUPAC3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one
SMILESCOCCNc1oc2c(c1-c1cccc(OC)c1OC)c(=O)oc1ccccc12
InChIInChI=1S/C22H21NO6/c1-25-12-11-23-21-17(14-8-6-10-16(26-2)19(14)27-3)18-20(29-21)13-7-4-5-9-15(13)28-22(18)24/h4-10,23H,11-12H2,1-3H3
InChIKeyOUYRMHOQJACUMM-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.28
Rot. Bonds7

About 3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one

3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one (PubChem CID 8741325) has the molecular formula C22H21NO6 and a molecular weight of 395.41 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one
PubChem CID8741325
Molecular FormulaC22H21NO6
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one
SMILESCOCCNc1oc2c(c1-c1cccc(OC)c1OC)c(=O)oc1ccccc12
InChIInChI=1S/C22H21NO6/c1-25-12-11-23-21-17(14-8-6-10-16(26-2)19(14)27-3)18-20(29-21)13-7-4-5-9-15(13)28-22(18)24/h4-10,23H,11-12H2,1-3H3
InChIKeyOUYRMHOQJACUMM-UHFFFAOYSA-N
XLogP4.28
TPSA83.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one (CID 8741325) is 3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one is COCCNc1oc2c(c1-c1cccc(OC)c1OC)c(=O)oc1ccccc12.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one?
The InChIKey is OUYRMHOQJACUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO6/c1-25-12-11-23-21-17(14-8-6-10-16(26-2)19(14)27-3)18-20(29-21)13-7-4-5-9-15(13)28-22(18)24/h4-10,23H,11-12H2,1-3H3.
What are the key properties of 3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one?
3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one has a molecular weight of 395.41 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one is sourced from PubChem (CID 8741325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).