7-(ethylamino)-4,6-dimethyl-3-(morpholin-4-ylmethyl)chromen-2-one

C18H24N2O3 — CID 888356

IUPAC7-(ethylamino)-4,6-dimethyl-3-(morpholin-4-ylmethyl)chromen-2-one
SMILESCCNc1cc2oc(=O)c(CN3CCOCC3)c(C)c2cc1C
InChIInChI=1S/C18H24N2O3/c1-4-19-16-10-17-14(9-12(16)2)13(3)15(18(21)23-17)11-20-5-7-22-8-6-20/h9-10,19H,4-8,11H2,1-3H3
InChIKeyDXJJVFRKUDWIKA-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.67
Rot. Bonds4

About 7-(ethylamino)-4,6-dimethyl-3-(morpholin-4-ylmethyl)chromen-2-one

7-(ethylamino)-4,6-dimethyl-3-(morpholin-4-ylmethyl)chromen-2-one (PubChem CID 888356) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 7-(ethylamino)-4,6-dimethyl-3-(morpholin-4-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name7-(ethylamino)-4,6-dimethyl-3-(morpholin-4-ylmethyl)chromen-2-one
PubChem CID888356
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name7-(ethylamino)-4,6-dimethyl-3-(morpholin-4-ylmethyl)chromen-2-one
SMILESCCNc1cc2oc(=O)c(CN3CCOCC3)c(C)c2cc1C
InChIInChI=1S/C18H24N2O3/c1-4-19-16-10-17-14(9-12(16)2)13(3)15(18(21)23-17)11-20-5-7-22-8-6-20/h9-10,19H,4-8,11H2,1-3H3
InChIKeyDXJJVFRKUDWIKA-UHFFFAOYSA-N
XLogP2.67
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-(ethylamino)-4,6-dimethyl-3-(morpholin-4-ylmethyl)chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(ethylamino)-4,6-dimethyl-3-(morpholin-4-ylmethyl)chromen-2-one?
The IUPAC name of 7-(ethylamino)-4,6-dimethyl-3-(morpholin-4-ylmethyl)chromen-2-one (CID 888356) is 7-(ethylamino)-4,6-dimethyl-3-(morpholin-4-ylmethyl)chromen-2-one.
What is the SMILES notation for 7-(ethylamino)-4,6-dimethyl-3-(morpholin-4-ylmethyl)chromen-2-one?
The canonical SMILES for 7-(ethylamino)-4,6-dimethyl-3-(morpholin-4-ylmethyl)chromen-2-one is CCNc1cc2oc(=O)c(CN3CCOCC3)c(C)c2cc1C.
What is the InChIKey of 7-(ethylamino)-4,6-dimethyl-3-(morpholin-4-ylmethyl)chromen-2-one?
The InChIKey is DXJJVFRKUDWIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-4-19-16-10-17-14(9-12(16)2)13(3)15(18(21)23-17)11-20-5-7-22-8-6-20/h9-10,19H,4-8,11H2,1-3H3.
What are the key properties of 7-(ethylamino)-4,6-dimethyl-3-(morpholin-4-ylmethyl)chromen-2-one?
7-(ethylamino)-4,6-dimethyl-3-(morpholin-4-ylmethyl)chromen-2-one has a molecular weight of 316.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethylamino)-4,6-dimethyl-3-(morpholin-4-ylmethyl)chromen-2-one is sourced from PubChem (CID 888356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).