1-amino-4-hydroxy-N-(4-methylphenyl)-9,10-dioxoanthracene-2-carboxamide

C22H16N2O4 — CID 3380790

IUPAC1-amino-4-hydroxy-N-(4-methylphenyl)-9,10-dioxoanthracene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(O)c3c(c2N)C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C22H16N2O4/c1-11-6-8-12(9-7-11)24-22(28)15-10-16(25)17-18(19(15)23)21(27)14-5-3-2-4-13(14)20(17)26/h2-10,25H,23H2,1H3,(H,24,28)
InChIKeyUJRWRRHIEPSUAU-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.31
Rot. Bonds2

About 1-amino-4-hydroxy-N-(4-methylphenyl)-9,10-dioxoanthracene-2-carboxamide

1-amino-4-hydroxy-N-(4-methylphenyl)-9,10-dioxoanthracene-2-carboxamide (PubChem CID 3380790) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is 1-amino-4-hydroxy-N-(4-methylphenyl)-9,10-dioxoanthracene-2-carboxamide.

Molecular Properties

Compound Name1-amino-4-hydroxy-N-(4-methylphenyl)-9,10-dioxoanthracene-2-carboxamide
PubChem CID3380790
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name1-amino-4-hydroxy-N-(4-methylphenyl)-9,10-dioxoanthracene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(O)c3c(c2N)C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C22H16N2O4/c1-11-6-8-12(9-7-11)24-22(28)15-10-16(25)17-18(19(15)23)21(27)14-5-3-2-4-13(14)20(17)26/h2-10,25H,23H2,1H3,(H,24,28)
InChIKeyUJRWRRHIEPSUAU-UHFFFAOYSA-N
XLogP3.31
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.31
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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-amino-4-hydroxy-2-(4-propan-2-ylbenzoyl)anthracene-9,10-dione
CID 71326623
2-amino-5-chloro-N-(4-methylphenyl)benzamide
CID 6481532
N-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]benzamide
CID 21486214
1-amino-4-hydroxy-2-(3-methylphenoxy)anthracene-9,10-dione
CID 19089713
3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135555084
N-(4-methylphenyl)-9H-fluorene-4-carboxamide
CID 2802871
1-anilino-4-hydroxyanthracene-9,10-dione;1,4-bis(4-methylanilino)anthracene-9,10-dione;1,4-bis(2,4,6-trimethylanilino)anthracene-9,10-dione;1,4-diamino-2,3-diphenoxyanthracene-9,10-dione;1-hydroxy-4-(4-methylanilino)anthracene-9,10-dione
CID 160507430
5-methyl-2-(4-methylphenyl)-N-phenylbenzamide
CID 173213744
1,4-diamino-N-(4-aminophenyl)-3-cyano-9,10-dioxoanthracene-2-carboxamide
CID 67823917
2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide
CID 134815708
[2-(4-methylanilino)-2-oxoethyl] 1-chloro-9,10-dioxoanthracene-2-carboxylate
CID 42962816
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-hydroxy-N-(4-methylphenyl)-9,10-dioxoanthracene-2-carboxamide?
The IUPAC name of 1-amino-4-hydroxy-N-(4-methylphenyl)-9,10-dioxoanthracene-2-carboxamide (CID 3380790) is 1-amino-4-hydroxy-N-(4-methylphenyl)-9,10-dioxoanthracene-2-carboxamide.
What is the SMILES notation for 1-amino-4-hydroxy-N-(4-methylphenyl)-9,10-dioxoanthracene-2-carboxamide?
The canonical SMILES for 1-amino-4-hydroxy-N-(4-methylphenyl)-9,10-dioxoanthracene-2-carboxamide is Cc1ccc(NC(=O)c2cc(O)c3c(c2N)C(=O)c2ccccc2C3=O)cc1.
What is the InChIKey of 1-amino-4-hydroxy-N-(4-methylphenyl)-9,10-dioxoanthracene-2-carboxamide?
The InChIKey is UJRWRRHIEPSUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c1-11-6-8-12(9-7-11)24-22(28)15-10-16(25)17-18(19(15)23)21(27)14-5-3-2-4-13(14)20(17)26/h2-10,25H,23H2,1H3,(H,24,28).
What are the key properties of 1-amino-4-hydroxy-N-(4-methylphenyl)-9,10-dioxoanthracene-2-carboxamide?
1-amino-4-hydroxy-N-(4-methylphenyl)-9,10-dioxoanthracene-2-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 3.31, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-hydroxy-N-(4-methylphenyl)-9,10-dioxoanthracene-2-carboxamide is sourced from PubChem (CID 3380790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).