2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione

C16H18N2O3 — CID 14692055

IUPAC2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione
SMILESCCNC1=C(N2CCOCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H18N2O3/c1-2-17-13-14(18-7-9-21-10-8-18)16(20)12-6-4-3-5-11(12)15(13)19/h3-6,17H,2,7-10H2,1H3
InChIKeyLIVUDIQPHWCTQI-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.22
Rot. Bonds3

About 2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione

2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione (PubChem CID 14692055) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione.

Molecular Properties

Compound Name2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione
PubChem CID14692055
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione
SMILESCCNC1=C(N2CCOCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H18N2O3/c1-2-17-13-14(18-7-9-21-10-8-18)16(20)12-6-4-3-5-11(12)15(13)19/h3-6,17H,2,7-10H2,1H3
InChIKeyLIVUDIQPHWCTQI-UHFFFAOYSA-N
XLogP1.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione?
The IUPAC name of 2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione (CID 14692055) is 2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione.
What is the SMILES notation for 2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione?
The canonical SMILES for 2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione is CCNC1=C(N2CCOCC2)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione?
The InChIKey is LIVUDIQPHWCTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-17-13-14(18-7-9-21-10-8-18)16(20)12-6-4-3-5-11(12)15(13)19/h3-6,17H,2,7-10H2,1H3.
What are the key properties of 2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione?
2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione has a molecular weight of 286.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione is sourced from PubChem (CID 14692055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).