1-[2-(2-hydroxyethylamino)ethylamino]-4-methylanthracene-9,10-dione;hydrochloride

C19H21ClN2O3 — CID 54609805

IUPAC1-[2-(2-hydroxyethylamino)ethylamino]-4-methylanthracene-9,10-dione;hydrochloride
SMILESCc1ccc(NCCNCCO)c2c1C(=O)c1ccccc1C2=O.Cl
InChIInChI=1S/C19H20N2O3.ClH/c1-12-6-7-15(21-9-8-20-10-11-22)17-16(12)18(23)13-4-2-3-5-14(13)19(17)24;/h2-7,20-22H,8-11H2,1H3;1H
InChIKeyZNPJJQOPFJAQCU-UHFFFAOYSA-N
MW360.84 g/mol
LogP2.19
Rot. Bonds6

About 1-[2-(2-hydroxyethylamino)ethylamino]-4-methylanthracene-9,10-dione;hydrochloride

1-[2-(2-hydroxyethylamino)ethylamino]-4-methylanthracene-9,10-dione;hydrochloride (PubChem CID 54609805) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethylamino)ethylamino]-4-methylanthracene-9,10-dione;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-hydroxyethylamino)ethylamino]-4-methylanthracene-9,10-dione;hydrochloride
PubChem CID54609805
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name1-[2-(2-hydroxyethylamino)ethylamino]-4-methylanthracene-9,10-dione;hydrochloride
SMILESCc1ccc(NCCNCCO)c2c1C(=O)c1ccccc1C2=O.Cl
InChIInChI=1S/C19H20N2O3.ClH/c1-12-6-7-15(21-9-8-20-10-11-22)17-16(12)18(23)13-4-2-3-5-14(13)19(17)24;/h2-7,20-22H,8-11H2,1H3;1H
InChIKeyZNPJJQOPFJAQCU-UHFFFAOYSA-N
XLogP2.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethylamino)ethylamino]-4-methylanthracene-9,10-dione;hydrochloride?
The IUPAC name of 1-[2-(2-hydroxyethylamino)ethylamino]-4-methylanthracene-9,10-dione;hydrochloride (CID 54609805) is 1-[2-(2-hydroxyethylamino)ethylamino]-4-methylanthracene-9,10-dione;hydrochloride.
What is the SMILES notation for 1-[2-(2-hydroxyethylamino)ethylamino]-4-methylanthracene-9,10-dione;hydrochloride?
The canonical SMILES for 1-[2-(2-hydroxyethylamino)ethylamino]-4-methylanthracene-9,10-dione;hydrochloride is Cc1ccc(NCCNCCO)c2c1C(=O)c1ccccc1C2=O.Cl.
What is the InChIKey of 1-[2-(2-hydroxyethylamino)ethylamino]-4-methylanthracene-9,10-dione;hydrochloride?
The InChIKey is ZNPJJQOPFJAQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3.ClH/c1-12-6-7-15(21-9-8-20-10-11-22)17-16(12)18(23)13-4-2-3-5-14(13)19(17)24;/h2-7,20-22H,8-11H2,1H3;1H.
What are the key properties of 1-[2-(2-hydroxyethylamino)ethylamino]-4-methylanthracene-9,10-dione;hydrochloride?
1-[2-(2-hydroxyethylamino)ethylamino]-4-methylanthracene-9,10-dione;hydrochloride has a molecular weight of 360.84 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethylamino)ethylamino]-4-methylanthracene-9,10-dione;hydrochloride is sourced from PubChem (CID 54609805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).