2-(2-hydroxyethylamino)anthracene-1,4-dione

C16H13NO3 — CID 174631926

IUPAC2-(2-hydroxyethylamino)anthracene-1,4-dione
SMILESO=C1C=C(NCCO)C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C16H13NO3/c18-6-5-17-14-9-15(19)12-7-10-3-1-2-4-11(10)8-13(12)16(14)20/h1-4,7-9,17-18H,5-6H2
InChIKeyXCQOEVKAUIFDKW-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.68
Rot. Bonds3

About 2-(2-hydroxyethylamino)anthracene-1,4-dione

2-(2-hydroxyethylamino)anthracene-1,4-dione (PubChem CID 174631926) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)anthracene-1,4-dione.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)anthracene-1,4-dione
PubChem CID174631926
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name2-(2-hydroxyethylamino)anthracene-1,4-dione
SMILESO=C1C=C(NCCO)C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C16H13NO3/c18-6-5-17-14-9-15(19)12-7-10-3-1-2-4-11(10)8-13(12)16(14)20/h1-4,7-9,17-18H,5-6H2
InChIKeyXCQOEVKAUIFDKW-UHFFFAOYSA-N
XLogP1.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3-(3-aminopropylamino)propylamino]propylamino]tetracene-1,4-dione
CID 25053001
6-(2-hydroxyethylamino)isoquinoline-5,8-dione
CID 45093493
2-(10-hydroxydecylamino)naphthalene-1,4-dione
CID 71295511
2-(1,4-dioxoanthracen-2-yl)anthracene-1,4-dione
CID 102428384
2-phenylanthracene-1,4-dione
CID 165358923
ethane;pentacene-6,13-dione
CID 91293848
heptacene-7,16-dione
CID 44720481
2-[3-(benzenesulfonyl)propylamino]naphthalene-1,4-dione
CID 124928576
2-(oct-3-ynylamino)naphthalene-1,4-dione
CID 146335419
10-[(1,4-dioxonaphthalen-2-yl)amino]decyl methanesulfonate
CID 89429105
anthracene;ethane-1,2-diol
CID 158405305
6-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione
CID 158438350

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)anthracene-1,4-dione?
The IUPAC name of 2-(2-hydroxyethylamino)anthracene-1,4-dione (CID 174631926) is 2-(2-hydroxyethylamino)anthracene-1,4-dione.
What is the SMILES notation for 2-(2-hydroxyethylamino)anthracene-1,4-dione?
The canonical SMILES for 2-(2-hydroxyethylamino)anthracene-1,4-dione is O=C1C=C(NCCO)C(=O)c2cc3ccccc3cc21.
What is the InChIKey of 2-(2-hydroxyethylamino)anthracene-1,4-dione?
The InChIKey is XCQOEVKAUIFDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-6-5-17-14-9-15(19)12-7-10-3-1-2-4-11(10)8-13(12)16(14)20/h1-4,7-9,17-18H,5-6H2.
What are the key properties of 2-(2-hydroxyethylamino)anthracene-1,4-dione?
2-(2-hydroxyethylamino)anthracene-1,4-dione has a molecular weight of 267.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)anthracene-1,4-dione is sourced from PubChem (CID 174631926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).