6-methoxy-4-(morpholin-4-ylmethyl)chromen-2-one

C15H17NO4 — CID 6462427

IUPAC6-methoxy-4-(morpholin-4-ylmethyl)chromen-2-one
SMILESCOc1ccc2oc(=O)cc(CN3CCOCC3)c2c1
InChIInChI=1S/C15H17NO4/c1-18-12-2-3-14-13(9-12)11(8-15(17)20-14)10-16-4-6-19-7-5-16/h2-3,8-9H,4-7,10H2,1H3
InChIKeySQROKFLDTKKJIF-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.63
Rot. Bonds3

About 6-methoxy-4-(morpholin-4-ylmethyl)chromen-2-one

6-methoxy-4-(morpholin-4-ylmethyl)chromen-2-one (PubChem CID 6462427) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 6-methoxy-4-(morpholin-4-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name6-methoxy-4-(morpholin-4-ylmethyl)chromen-2-one
PubChem CID6462427
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name6-methoxy-4-(morpholin-4-ylmethyl)chromen-2-one
SMILESCOc1ccc2oc(=O)cc(CN3CCOCC3)c2c1
InChIInChI=1S/C15H17NO4/c1-18-12-2-3-14-13(9-12)11(8-15(17)20-14)10-16-4-6-19-7-5-16/h2-3,8-9H,4-7,10H2,1H3
InChIKeySQROKFLDTKKJIF-UHFFFAOYSA-N
XLogP1.63
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.63
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 6-methoxy-4-(morpholin-4-ylmethyl)chromen-2-one?
The IUPAC name of 6-methoxy-4-(morpholin-4-ylmethyl)chromen-2-one (CID 6462427) is 6-methoxy-4-(morpholin-4-ylmethyl)chromen-2-one.
What is the SMILES notation for 6-methoxy-4-(morpholin-4-ylmethyl)chromen-2-one?
The canonical SMILES for 6-methoxy-4-(morpholin-4-ylmethyl)chromen-2-one is COc1ccc2oc(=O)cc(CN3CCOCC3)c2c1.
What is the InChIKey of 6-methoxy-4-(morpholin-4-ylmethyl)chromen-2-one?
The InChIKey is SQROKFLDTKKJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-18-12-2-3-14-13(9-12)11(8-15(17)20-14)10-16-4-6-19-7-5-16/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of 6-methoxy-4-(morpholin-4-ylmethyl)chromen-2-one?
6-methoxy-4-(morpholin-4-ylmethyl)chromen-2-one has a molecular weight of 275.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(morpholin-4-ylmethyl)chromen-2-one is sourced from PubChem (CID 6462427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).