1-hydroxy-4,5-dimethyl-10-methylidene-8-(4-propan-2-ylanilino)anthracen-9-one

C26H25NO2 — CID 89188292

IUPAC1-hydroxy-4,5-dimethyl-10-methylidene-8-(4-propan-2-ylanilino)anthracen-9-one
SMILESC=C1c2c(C)ccc(O)c2C(=O)c2c(Nc3ccc(C(C)C)cc3)ccc(C)c21
InChIInChI=1S/C26H25NO2/c1-14(2)18-8-10-19(11-9-18)27-20-12-6-15(3)22-17(5)23-16(4)7-13-21(28)25(23)26(29)24(20)22/h6-14,27-28H,5H2,1-4H3
InChIKeyNGNHUOXOQIYZLD-UHFFFAOYSA-N
MW383.49 g/mol
LogP6.48
Rot. Bonds3

About 1-hydroxy-4,5-dimethyl-10-methylidene-8-(4-propan-2-ylanilino)anthracen-9-one

1-hydroxy-4,5-dimethyl-10-methylidene-8-(4-propan-2-ylanilino)anthracen-9-one (PubChem CID 89188292) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-hydroxy-4,5-dimethyl-10-methylidene-8-(4-propan-2-ylanilino)anthracen-9-one.

Molecular Properties

Compound Name1-hydroxy-4,5-dimethyl-10-methylidene-8-(4-propan-2-ylanilino)anthracen-9-one
PubChem CID89188292
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name1-hydroxy-4,5-dimethyl-10-methylidene-8-(4-propan-2-ylanilino)anthracen-9-one
SMILESC=C1c2c(C)ccc(O)c2C(=O)c2c(Nc3ccc(C(C)C)cc3)ccc(C)c21
InChIInChI=1S/C26H25NO2/c1-14(2)18-8-10-19(11-9-18)27-20-12-6-15(3)22-17(5)23-16(4)7-13-21(28)25(23)26(29)24(20)22/h6-14,27-28H,5H2,1-4H3
InChIKeyNGNHUOXOQIYZLD-UHFFFAOYSA-N
XLogP6.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-4,5,8-tris(4-methylanilino)anthracene-9,10-dione
CID 14597527
1-hydroxy-5,8-dimethyl-4-(methylamino)anthracene-9,10-dione
CID 59917634
4-hydroxy-1,5-bis(4-methylanilino)anthracene-9,10-dione
CID 22756941
1,4,5-trihydroxy-8-(2,4,6-trimethylanilino)anthracene-9,10-dione
CID 20568132
1,4-dianilino-5-hydroxy-8-nitroanthracene-9,10-dione
CID 14597507
3-(4-propan-2-ylanilino)benzene-1,2-diol
CID 171920166
1,4-dihydroxy-5,8-bis[1-(methylamino)ethylamino]anthracene-9,10-dione
CID 88725997
1-(butylamino)-4,8-dihydroxy-5-methylanthracene-9,10-dione
CID 123883482
4-(4-chloroanilino)-1-(4-methylanilino)-10-methylideneanthracen-9-one
CID 142244892
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
N-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]benzamide
CID 21486214
4-(4-propan-2-ylanilino)phenol
CID 21326552

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4,5-dimethyl-10-methylidene-8-(4-propan-2-ylanilino)anthracen-9-one?
The IUPAC name of 1-hydroxy-4,5-dimethyl-10-methylidene-8-(4-propan-2-ylanilino)anthracen-9-one (CID 89188292) is 1-hydroxy-4,5-dimethyl-10-methylidene-8-(4-propan-2-ylanilino)anthracen-9-one.
What is the SMILES notation for 1-hydroxy-4,5-dimethyl-10-methylidene-8-(4-propan-2-ylanilino)anthracen-9-one?
The canonical SMILES for 1-hydroxy-4,5-dimethyl-10-methylidene-8-(4-propan-2-ylanilino)anthracen-9-one is C=C1c2c(C)ccc(O)c2C(=O)c2c(Nc3ccc(C(C)C)cc3)ccc(C)c21.
What is the InChIKey of 1-hydroxy-4,5-dimethyl-10-methylidene-8-(4-propan-2-ylanilino)anthracen-9-one?
The InChIKey is NGNHUOXOQIYZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c1-14(2)18-8-10-19(11-9-18)27-20-12-6-15(3)22-17(5)23-16(4)7-13-21(28)25(23)26(29)24(20)22/h6-14,27-28H,5H2,1-4H3.
What are the key properties of 1-hydroxy-4,5-dimethyl-10-methylidene-8-(4-propan-2-ylanilino)anthracen-9-one?
1-hydroxy-4,5-dimethyl-10-methylidene-8-(4-propan-2-ylanilino)anthracen-9-one has a molecular weight of 383.49 g/mol, XLogP of 6.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4,5-dimethyl-10-methylidene-8-(4-propan-2-ylanilino)anthracen-9-one is sourced from PubChem (CID 89188292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).