[4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate

C29H22N2O5 — CID 16605535

IUPAC[4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate
SMILESCOc1ccccc1C(=O)Nc1ccc(OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1
InChIInChI=1S/C29H22N2O5/c1-35-26-13-7-4-10-23(26)29(34)30-19-14-16-20(17-15-19)36-27(32)18-31-24-11-5-2-8-21(24)28(33)22-9-3-6-12-25(22)31/h2-17H,18H2,1H3,(H,30,34)
InChIKeyDKKOLHGQYQSHDU-UHFFFAOYSA-N
MW478.50 g/mol
LogP5.02
Rot. Bonds6

About [4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate

[4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16605535) has the molecular formula C29H22N2O5 and a molecular weight of 478.50 g/mol. Its IUPAC name is [4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name[4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate
PubChem CID16605535
Molecular FormulaC29H22N2O5
Molecular Weight478.50 g/mol
Exact Mass478.15
IUPAC Name[4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate
SMILESCOc1ccccc1C(=O)Nc1ccc(OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1
InChIInChI=1S/C29H22N2O5/c1-35-26-13-7-4-10-23(26)29(34)30-19-14-16-20(17-15-19)36-27(32)18-31-24-11-5-2-8-21(24)28(33)22-9-3-6-12-25(22)31/h2-17H,18H2,1H3,(H,30,34)
InChIKeyDKKOLHGQYQSHDU-UHFFFAOYSA-N
XLogP5.02
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.50
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate
CID 16605438
phenyl 2-(9-oxoacridin-10-yl)acetate
CID 3113744
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
[4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate
CID 26699631
(4-benzamidophenyl) 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate
CID 41171491
(2-bromophenyl) 2-(9-oxoacridin-10-yl)acetate
CID 16583730
(4-acetamidophenyl) 2-(3-bromo-2-methylindol-1-yl)acetate
CID 60551156
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide
CID 110352322
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290
2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130159
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587266
N-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide
CID 11523434

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of [4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate (CID 16605535) is [4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for [4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for [4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate is COc1ccccc1C(=O)Nc1ccc(OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1.
What is the InChIKey of [4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is DKKOLHGQYQSHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O5/c1-35-26-13-7-4-10-23(26)29(34)30-19-14-16-20(17-15-19)36-27(32)18-31-24-11-5-2-8-21(24)28(33)22-9-3-6-12-25(22)31/h2-17H,18H2,1H3,(H,30,34).
What are the key properties of [4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate?
[4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 478.50 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16605535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).