N-[6-[(3,4-dimethoxybenzoyl)amino]acridin-3-yl]-3,4-dimethoxybenzamide

C31H27N3O6 — CID 23661433

IUPACN-[6-[(3,4-dimethoxybenzoyl)amino]acridin-3-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3cc4ccc(NC(=O)c5ccc(OC)c(OC)c5)cc4nc3c2)cc1OC
InChIInChI=1S/C31H27N3O6/c1-37-26-11-7-20(14-28(26)39-3)30(35)32-22-9-5-18-13-19-6-10-23(17-25(19)34-24(18)16-22)33-31(36)21-8-12-27(38-2)29(15-21)40-4/h5-17H,1-4H3,(H,32,35)(H,33,36)
InChIKeyXAAYLCLQGJOYLU-UHFFFAOYSA-N
MW537.57 g/mol
LogP5.93
Rot. Bonds8

About N-[6-[(3,4-dimethoxybenzoyl)amino]acridin-3-yl]-3,4-dimethoxybenzamide

N-[6-[(3,4-dimethoxybenzoyl)amino]acridin-3-yl]-3,4-dimethoxybenzamide (PubChem CID 23661433) has the molecular formula C31H27N3O6 and a molecular weight of 537.57 g/mol. Its IUPAC name is N-[6-[(3,4-dimethoxybenzoyl)amino]acridin-3-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-[(3,4-dimethoxybenzoyl)amino]acridin-3-yl]-3,4-dimethoxybenzamide
PubChem CID23661433
Molecular FormulaC31H27N3O6
Molecular Weight537.57 g/mol
Exact Mass537.19
IUPAC NameN-[6-[(3,4-dimethoxybenzoyl)amino]acridin-3-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3cc4ccc(NC(=O)c5ccc(OC)c(OC)c5)cc4nc3c2)cc1OC
InChIInChI=1S/C31H27N3O6/c1-37-26-11-7-20(14-28(26)39-3)30(35)32-22-9-5-18-13-19-6-10-23(17-25(19)34-24(18)16-22)33-31(36)21-8-12-27(38-2)29(15-21)40-4/h5-17H,1-4H3,(H,32,35)(H,33,36)
InChIKeyXAAYLCLQGJOYLU-UHFFFAOYSA-N
XLogP5.93
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.57
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(3,4-dimethoxybenzoyl)amino]acridin-3-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[6-[(3,4-dimethoxybenzoyl)amino]acridin-3-yl]-3,4-dimethoxybenzamide (CID 23661433) is N-[6-[(3,4-dimethoxybenzoyl)amino]acridin-3-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[6-[(3,4-dimethoxybenzoyl)amino]acridin-3-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[6-[(3,4-dimethoxybenzoyl)amino]acridin-3-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc3cc4ccc(NC(=O)c5ccc(OC)c(OC)c5)cc4nc3c2)cc1OC.
What is the InChIKey of N-[6-[(3,4-dimethoxybenzoyl)amino]acridin-3-yl]-3,4-dimethoxybenzamide?
The InChIKey is XAAYLCLQGJOYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3O6/c1-37-26-11-7-20(14-28(26)39-3)30(35)32-22-9-5-18-13-19-6-10-23(17-25(19)34-24(18)16-22)33-31(36)21-8-12-27(38-2)29(15-21)40-4/h5-17H,1-4H3,(H,32,35)(H,33,36).
What are the key properties of N-[6-[(3,4-dimethoxybenzoyl)amino]acridin-3-yl]-3,4-dimethoxybenzamide?
N-[6-[(3,4-dimethoxybenzoyl)amino]acridin-3-yl]-3,4-dimethoxybenzamide has a molecular weight of 537.57 g/mol, XLogP of 5.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3,4-dimethoxybenzoyl)amino]acridin-3-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 23661433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).