N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

C26H26N4O3 — CID 2861398

IUPACN-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESCCN(CC)c1ccc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(O)c1
InChIInChI=1S/C26H26N4O3/c1-3-29(4-2)19-14-13-18(24(31)15-19)16-27-28-25(32)17-30-22-11-7-5-9-20(22)26(33)21-10-6-8-12-23(21)30/h5-16,31H,3-4,17H2,1-2H3,(H,28,32)
InChIKeyLMIZXYVMASLUIE-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.86
Rot. Bonds7

About N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 2861398) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID2861398
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESCCN(CC)c1ccc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(O)c1
InChIInChI=1S/C26H26N4O3/c1-3-29(4-2)19-14-13-18(24(31)15-19)16-27-28-25(32)17-30-22-11-7-5-9-20(22)26(33)21-10-6-8-12-23(21)30/h5-16,31H,3-4,17H2,1-2H3,(H,28,32)
InChIKeyLMIZXYVMASLUIE-UHFFFAOYSA-N
XLogP3.86
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 2861398) is N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is CCN(CC)c1ccc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(O)c1.
What is the InChIKey of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is LMIZXYVMASLUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-3-29(4-2)19-14-13-18(24(31)15-19)16-27-28-25(32)17-30-22-11-7-5-9-20(22)26(33)21-10-6-8-12-23(21)30/h5-16,31H,3-4,17H2,1-2H3,(H,28,32).
What are the key properties of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 442.52 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 2861398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).