7-(diethylamino)-4-(morpholin-4-ylmethyl)chromen-2-one

C18H24N2O3 — CID 1124725

IUPAC7-(diethylamino)-4-(morpholin-4-ylmethyl)chromen-2-one
SMILESCCN(CC)c1ccc2c(CN3CCOCC3)cc(=O)oc2c1
InChIInChI=1S/C18H24N2O3/c1-3-20(4-2)15-5-6-16-14(11-18(21)23-17(16)12-15)13-19-7-9-22-10-8-19/h5-6,11-12H,3-4,7-10,13H2,1-2H3
InChIKeyPPZYJUAMSGWHMR-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.47
Rot. Bonds5

About 7-(diethylamino)-4-(morpholin-4-ylmethyl)chromen-2-one

7-(diethylamino)-4-(morpholin-4-ylmethyl)chromen-2-one (PubChem CID 1124725) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 7-(diethylamino)-4-(morpholin-4-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-4-(morpholin-4-ylmethyl)chromen-2-one
PubChem CID1124725
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name7-(diethylamino)-4-(morpholin-4-ylmethyl)chromen-2-one
SMILESCCN(CC)c1ccc2c(CN3CCOCC3)cc(=O)oc2c1
InChIInChI=1S/C18H24N2O3/c1-3-20(4-2)15-5-6-16-14(11-18(21)23-17(16)12-15)13-19-7-9-22-10-8-19/h5-6,11-12H,3-4,7-10,13H2,1-2H3
InChIKeyPPZYJUAMSGWHMR-UHFFFAOYSA-N
XLogP2.47
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 7050
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CID 688763
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CID 94517
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CID 120014
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CID 54680650
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CID 659294
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CID 688937
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CID 94523
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CID 104522
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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-4-(morpholin-4-ylmethyl)chromen-2-one?
The IUPAC name of 7-(diethylamino)-4-(morpholin-4-ylmethyl)chromen-2-one (CID 1124725) is 7-(diethylamino)-4-(morpholin-4-ylmethyl)chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-4-(morpholin-4-ylmethyl)chromen-2-one?
The canonical SMILES for 7-(diethylamino)-4-(morpholin-4-ylmethyl)chromen-2-one is CCN(CC)c1ccc2c(CN3CCOCC3)cc(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-4-(morpholin-4-ylmethyl)chromen-2-one?
The InChIKey is PPZYJUAMSGWHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-20(4-2)15-5-6-16-14(11-18(21)23-17(16)12-15)13-19-7-9-22-10-8-19/h5-6,11-12H,3-4,7-10,13H2,1-2H3.
What are the key properties of 7-(diethylamino)-4-(morpholin-4-ylmethyl)chromen-2-one?
7-(diethylamino)-4-(morpholin-4-ylmethyl)chromen-2-one has a molecular weight of 316.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-4-(morpholin-4-ylmethyl)chromen-2-one is sourced from PubChem (CID 1124725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).