2,3,5,9-tetramethyl-6-(3-morpholin-4-yl-3-oxopropyl)furo[3,2-g]chromen-7-one

C22H25NO5 — CID 4914262

IUPAC2,3,5,9-tetramethyl-6-(3-morpholin-4-yl-3-oxopropyl)furo[3,2-g]chromen-7-one
SMILESCc1oc2c(C)c3oc(=O)c(CCC(=O)N4CCOCC4)c(C)c3cc2c1C
InChIInChI=1S/C22H25NO5/c1-12-15(4)27-20-14(3)21-18(11-17(12)20)13(2)16(22(25)28-21)5-6-19(24)23-7-9-26-10-8-23/h11H,5-10H2,1-4H3
InChIKeyWPKDTEUYDLLRRD-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.56
Rot. Bonds3

About 2,3,5,9-tetramethyl-6-(3-morpholin-4-yl-3-oxopropyl)furo[3,2-g]chromen-7-one

2,3,5,9-tetramethyl-6-(3-morpholin-4-yl-3-oxopropyl)furo[3,2-g]chromen-7-one (PubChem CID 4914262) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is 2,3,5,9-tetramethyl-6-(3-morpholin-4-yl-3-oxopropyl)furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name2,3,5,9-tetramethyl-6-(3-morpholin-4-yl-3-oxopropyl)furo[3,2-g]chromen-7-one
PubChem CID4914262
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name2,3,5,9-tetramethyl-6-(3-morpholin-4-yl-3-oxopropyl)furo[3,2-g]chromen-7-one
SMILESCc1oc2c(C)c3oc(=O)c(CCC(=O)N4CCOCC4)c(C)c3cc2c1C
InChIInChI=1S/C22H25NO5/c1-12-15(4)27-20-14(3)21-18(11-17(12)20)13(2)16(22(25)28-21)5-6-19(24)23-7-9-26-10-8-23/h11H,5-10H2,1-4H3
InChIKeyWPKDTEUYDLLRRD-UHFFFAOYSA-N
XLogP3.56
TPSA72.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,9-tetramethyl-6-(3-morpholin-4-yl-3-oxopropyl)furo[3,2-g]chromen-7-one?
The IUPAC name of 2,3,5,9-tetramethyl-6-(3-morpholin-4-yl-3-oxopropyl)furo[3,2-g]chromen-7-one (CID 4914262) is 2,3,5,9-tetramethyl-6-(3-morpholin-4-yl-3-oxopropyl)furo[3,2-g]chromen-7-one.
What is the SMILES notation for 2,3,5,9-tetramethyl-6-(3-morpholin-4-yl-3-oxopropyl)furo[3,2-g]chromen-7-one?
The canonical SMILES for 2,3,5,9-tetramethyl-6-(3-morpholin-4-yl-3-oxopropyl)furo[3,2-g]chromen-7-one is Cc1oc2c(C)c3oc(=O)c(CCC(=O)N4CCOCC4)c(C)c3cc2c1C.
What is the InChIKey of 2,3,5,9-tetramethyl-6-(3-morpholin-4-yl-3-oxopropyl)furo[3,2-g]chromen-7-one?
The InChIKey is WPKDTEUYDLLRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-12-15(4)27-20-14(3)21-18(11-17(12)20)13(2)16(22(25)28-21)5-6-19(24)23-7-9-26-10-8-23/h11H,5-10H2,1-4H3.
What are the key properties of 2,3,5,9-tetramethyl-6-(3-morpholin-4-yl-3-oxopropyl)furo[3,2-g]chromen-7-one?
2,3,5,9-tetramethyl-6-(3-morpholin-4-yl-3-oxopropyl)furo[3,2-g]chromen-7-one has a molecular weight of 383.44 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,9-tetramethyl-6-(3-morpholin-4-yl-3-oxopropyl)furo[3,2-g]chromen-7-one is sourced from PubChem (CID 4914262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).