4-methyl-7-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]chromen-2-one

C19H26N2O3 — CID 56722047

IUPAC4-methyl-7-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]chromen-2-one
SMILESCc1cc(=O)oc2cc(CN(C)CC(C)N3CCOCC3)ccc12
InChIInChI=1S/C19H26N2O3/c1-14-10-19(22)24-18-11-16(4-5-17(14)18)13-20(3)12-15(2)21-6-8-23-9-7-21/h4-5,10-11,15H,6-9,12-13H2,1-3H3
InChIKeyBWIQMFLTYKVJHN-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.25
Rot. Bonds5

About 4-methyl-7-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]chromen-2-one

4-methyl-7-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]chromen-2-one (PubChem CID 56722047) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-methyl-7-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]chromen-2-one.

Molecular Properties

Compound Name4-methyl-7-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]chromen-2-one
PubChem CID56722047
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-methyl-7-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]chromen-2-one
SMILESCc1cc(=O)oc2cc(CN(C)CC(C)N3CCOCC3)ccc12
InChIInChI=1S/C19H26N2O3/c1-14-10-19(22)24-18-11-16(4-5-17(14)18)13-20(3)12-15(2)21-6-8-23-9-7-21/h4-5,10-11,15H,6-9,12-13H2,1-3H3
InChIKeyBWIQMFLTYKVJHN-UHFFFAOYSA-N
XLogP2.25
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.25
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 4-methyl-7-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]chromen-2-one?
The IUPAC name of 4-methyl-7-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]chromen-2-one (CID 56722047) is 4-methyl-7-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]chromen-2-one.
What is the SMILES notation for 4-methyl-7-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]chromen-2-one?
The canonical SMILES for 4-methyl-7-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]chromen-2-one is Cc1cc(=O)oc2cc(CN(C)CC(C)N3CCOCC3)ccc12.
What is the InChIKey of 4-methyl-7-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]chromen-2-one?
The InChIKey is BWIQMFLTYKVJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14-10-19(22)24-18-11-16(4-5-17(14)18)13-20(3)12-15(2)21-6-8-23-9-7-21/h4-5,10-11,15H,6-9,12-13H2,1-3H3.
What are the key properties of 4-methyl-7-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]chromen-2-one?
4-methyl-7-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]chromen-2-one has a molecular weight of 330.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]chromen-2-one is sourced from PubChem (CID 56722047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).