7-(diethylamino)-4-morpholin-4-ylchromen-2-one

C17H22N2O3 — CID 14595799

IUPAC7-(diethylamino)-4-morpholin-4-ylchromen-2-one
SMILESCCN(CC)c1ccc2c(N3CCOCC3)cc(=O)oc2c1
InChIInChI=1S/C17H22N2O3/c1-3-18(4-2)13-5-6-14-15(19-7-9-21-10-8-19)12-17(20)22-16(14)11-13/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyBGIJUZQSYSVYBN-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.48
Rot. Bonds4

About 7-(diethylamino)-4-morpholin-4-ylchromen-2-one

7-(diethylamino)-4-morpholin-4-ylchromen-2-one (PubChem CID 14595799) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 7-(diethylamino)-4-morpholin-4-ylchromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-4-morpholin-4-ylchromen-2-one
PubChem CID14595799
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name7-(diethylamino)-4-morpholin-4-ylchromen-2-one
SMILESCCN(CC)c1ccc2c(N3CCOCC3)cc(=O)oc2c1
InChIInChI=1S/C17H22N2O3/c1-3-18(4-2)13-5-6-14-15(19-7-9-21-10-8-19)12-17(20)22-16(14)11-13/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyBGIJUZQSYSVYBN-UHFFFAOYSA-N
XLogP2.48
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.48
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 7-(diethylamino)-4-morpholin-4-ylchromen-2-one?
The IUPAC name of 7-(diethylamino)-4-morpholin-4-ylchromen-2-one (CID 14595799) is 7-(diethylamino)-4-morpholin-4-ylchromen-2-one.
What is the SMILES notation for 7-(diethylamino)-4-morpholin-4-ylchromen-2-one?
The canonical SMILES for 7-(diethylamino)-4-morpholin-4-ylchromen-2-one is CCN(CC)c1ccc2c(N3CCOCC3)cc(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-4-morpholin-4-ylchromen-2-one?
The InChIKey is BGIJUZQSYSVYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-18(4-2)13-5-6-14-15(19-7-9-21-10-8-19)12-17(20)22-16(14)11-13/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of 7-(diethylamino)-4-morpholin-4-ylchromen-2-one?
7-(diethylamino)-4-morpholin-4-ylchromen-2-one has a molecular weight of 302.37 g/mol, XLogP of 2.48, 4 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-ylchromen-2-one is sourced from PubChem (CID 14595799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).