3,9-dimethyl-2-morpholin-4-yl-5-phenylfuro[3,2-g]chromen-7-one

C23H21NO4 — CID 122537741

IUPAC3,9-dimethyl-2-morpholin-4-yl-5-phenylfuro[3,2-g]chromen-7-one
SMILESCc1c(N2CCOCC2)oc2c(C)c3oc(=O)cc(-c4ccccc4)c3cc12
InChIInChI=1S/C23H21NO4/c1-14-17-12-19-18(16-6-4-3-5-7-16)13-20(25)27-22(19)15(2)21(17)28-23(14)24-8-10-26-11-9-24/h3-7,12-13H,8-11H2,1-2H3
InChIKeySEBWDVXVCXNIQM-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.66
Rot. Bonds2

About 3,9-dimethyl-2-morpholin-4-yl-5-phenylfuro[3,2-g]chromen-7-one

3,9-dimethyl-2-morpholin-4-yl-5-phenylfuro[3,2-g]chromen-7-one (PubChem CID 122537741) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 3,9-dimethyl-2-morpholin-4-yl-5-phenylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name3,9-dimethyl-2-morpholin-4-yl-5-phenylfuro[3,2-g]chromen-7-one
PubChem CID122537741
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name3,9-dimethyl-2-morpholin-4-yl-5-phenylfuro[3,2-g]chromen-7-one
SMILESCc1c(N2CCOCC2)oc2c(C)c3oc(=O)cc(-c4ccccc4)c3cc12
InChIInChI=1S/C23H21NO4/c1-14-17-12-19-18(16-6-4-3-5-7-16)13-20(25)27-22(19)15(2)21(17)28-23(14)24-8-10-26-11-9-24/h3-7,12-13H,8-11H2,1-2H3
InChIKeySEBWDVXVCXNIQM-UHFFFAOYSA-N
XLogP4.66
TPSA55.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.66
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 3,9-dimethyl-2-morpholin-4-yl-5-phenylfuro[3,2-g]chromen-7-one?
The IUPAC name of 3,9-dimethyl-2-morpholin-4-yl-5-phenylfuro[3,2-g]chromen-7-one (CID 122537741) is 3,9-dimethyl-2-morpholin-4-yl-5-phenylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 3,9-dimethyl-2-morpholin-4-yl-5-phenylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 3,9-dimethyl-2-morpholin-4-yl-5-phenylfuro[3,2-g]chromen-7-one is Cc1c(N2CCOCC2)oc2c(C)c3oc(=O)cc(-c4ccccc4)c3cc12.
What is the InChIKey of 3,9-dimethyl-2-morpholin-4-yl-5-phenylfuro[3,2-g]chromen-7-one?
The InChIKey is SEBWDVXVCXNIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-14-17-12-19-18(16-6-4-3-5-7-16)13-20(25)27-22(19)15(2)21(17)28-23(14)24-8-10-26-11-9-24/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 3,9-dimethyl-2-morpholin-4-yl-5-phenylfuro[3,2-g]chromen-7-one?
3,9-dimethyl-2-morpholin-4-yl-5-phenylfuro[3,2-g]chromen-7-one has a molecular weight of 375.42 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-2-morpholin-4-yl-5-phenylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 122537741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).