1-amino-2-[2-[3-(dimethylamino)phenyl]ethoxy]-4-hydroxyanthracene-9,10-dione

C24H22N2O4 — CID 23521870

IUPAC1-amino-2-[2-[3-(dimethylamino)phenyl]ethoxy]-4-hydroxyanthracene-9,10-dione
SMILESCN(C)c1cccc(CCOc2cc(O)c3c(c2N)C(=O)c2ccccc2C3=O)c1
InChIInChI=1S/C24H22N2O4/c1-26(2)15-7-5-6-14(12-15)10-11-30-19-13-18(27)20-21(22(19)25)24(29)17-9-4-3-8-16(17)23(20)28/h3-9,12-13,27H,10-11,25H2,1-2H3
InChIKeyLACNZUIRXCPACC-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.44
Rot. Bonds5

About 1-amino-2-[2-[3-(dimethylamino)phenyl]ethoxy]-4-hydroxyanthracene-9,10-dione

1-amino-2-[2-[3-(dimethylamino)phenyl]ethoxy]-4-hydroxyanthracene-9,10-dione (PubChem CID 23521870) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 1-amino-2-[2-[3-(dimethylamino)phenyl]ethoxy]-4-hydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name1-amino-2-[2-[3-(dimethylamino)phenyl]ethoxy]-4-hydroxyanthracene-9,10-dione
PubChem CID23521870
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name1-amino-2-[2-[3-(dimethylamino)phenyl]ethoxy]-4-hydroxyanthracene-9,10-dione
SMILESCN(C)c1cccc(CCOc2cc(O)c3c(c2N)C(=O)c2ccccc2C3=O)c1
InChIInChI=1S/C24H22N2O4/c1-26(2)15-7-5-6-14(12-15)10-11-30-19-13-18(27)20-21(22(19)25)24(29)17-9-4-3-8-16(17)23(20)28/h3-9,12-13,27H,10-11,25H2,1-2H3
InChIKeyLACNZUIRXCPACC-UHFFFAOYSA-N
XLogP3.44
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-amino-4-hydroxy-2-[2-(2-methylphenoxy)ethoxy]anthracene-9,10-dione
CID 21423399
1-amino-7-chloro-4-hydroxy-2-(2-phenylethoxy)anthracene-9,10-dione
CID 57038615
1-amino-4-hydroxy-2-pentoxyanthracene-9,10-dione
CID 20695780
1-amino-2-decoxy-4-hydroxyanthracene-9,10-dione
CID 90068747
1-amino-4-hydroxy-2-(2-hydroxypropoxy)anthracene-9,10-dione
CID 57184138
1-amino-4-hydroxy-2-(3-methylphenoxy)anthracene-9,10-dione
CID 19089713
3-[4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyphenyl]propanoic acid
CID 20695807
1-amino-4-hydroxy-2-[4-[2-[4-(2-phenylethenyl)phenyl]ethyl]phenoxy]anthracene-9,10-dione
CID 59971017
1-amino-4-hydroxy-2-(4-propan-2-ylphenoxy)anthracene-9,10-dione;ethane
CID 157277200
dimethyl 2-[[4-[2-[3-(dimethylamino)phenyl]ethoxy]phenyl]methyl]propanedioate
CID 90904578
1,4,5,8-tetraamino-2,7-bis(3-phenylpropoxy)anthracene-9,10-dione
CID 71319004
1-amino-4-anilino-2-[2-(dimethylamino)ethoxy]anthracene-9,10-dione;methane
CID 158516928

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[3-(dimethylamino)phenyl]ethoxy]-4-hydroxyanthracene-9,10-dione?
The IUPAC name of 1-amino-2-[2-[3-(dimethylamino)phenyl]ethoxy]-4-hydroxyanthracene-9,10-dione (CID 23521870) is 1-amino-2-[2-[3-(dimethylamino)phenyl]ethoxy]-4-hydroxyanthracene-9,10-dione.
What is the SMILES notation for 1-amino-2-[2-[3-(dimethylamino)phenyl]ethoxy]-4-hydroxyanthracene-9,10-dione?
The canonical SMILES for 1-amino-2-[2-[3-(dimethylamino)phenyl]ethoxy]-4-hydroxyanthracene-9,10-dione is CN(C)c1cccc(CCOc2cc(O)c3c(c2N)C(=O)c2ccccc2C3=O)c1.
What is the InChIKey of 1-amino-2-[2-[3-(dimethylamino)phenyl]ethoxy]-4-hydroxyanthracene-9,10-dione?
The InChIKey is LACNZUIRXCPACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-26(2)15-7-5-6-14(12-15)10-11-30-19-13-18(27)20-21(22(19)25)24(29)17-9-4-3-8-16(17)23(20)28/h3-9,12-13,27H,10-11,25H2,1-2H3.
What are the key properties of 1-amino-2-[2-[3-(dimethylamino)phenyl]ethoxy]-4-hydroxyanthracene-9,10-dione?
1-amino-2-[2-[3-(dimethylamino)phenyl]ethoxy]-4-hydroxyanthracene-9,10-dione has a molecular weight of 402.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[3-(dimethylamino)phenyl]ethoxy]-4-hydroxyanthracene-9,10-dione is sourced from PubChem (CID 23521870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).