N-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]-2-methoxyphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide

C35H37N3O6 — CID 10348490

IUPACN-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]-2-methoxyphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide
SMILESCOc1cc(OCCCN(C)Cc2ccc(OC)c(OC)c2)ccc1NC(=O)c1cccc2c(=O)c3cccc(C)c3[nH]c12
InChIInChI=1S/C35H37N3O6/c1-22-9-6-10-25-32(22)37-33-26(34(25)39)11-7-12-27(33)35(40)36-28-15-14-24(20-30(28)42-4)44-18-8-17-38(2)21-23-13-16-29(41-3)31(19-23)43-5/h6-7,9-16,19-20H,8,17-18,21H2,1-5H3,(H,36,40)(H,37,39)
InChIKeyUHHUHTIYOANXHB-UHFFFAOYSA-N
MW595.70 g/mol
LogP6.17
Rot. Bonds12

About N-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]-2-methoxyphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide

N-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]-2-methoxyphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide (PubChem CID 10348490) has the molecular formula C35H37N3O6 and a molecular weight of 595.70 g/mol. Its IUPAC name is N-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]-2-methoxyphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]-2-methoxyphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide
PubChem CID10348490
Molecular FormulaC35H37N3O6
Molecular Weight595.70 g/mol
Exact Mass595.27
IUPAC NameN-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]-2-methoxyphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide
SMILESCOc1cc(OCCCN(C)Cc2ccc(OC)c(OC)c2)ccc1NC(=O)c1cccc2c(=O)c3cccc(C)c3[nH]c12
InChIInChI=1S/C35H37N3O6/c1-22-9-6-10-25-32(22)37-33-26(34(25)39)11-7-12-27(33)35(40)36-28-15-14-24(20-30(28)42-4)44-18-8-17-38(2)21-23-13-16-29(41-3)31(19-23)43-5/h6-7,9-16,19-20H,8,17-18,21H2,1-5H3,(H,36,40)(H,37,39)
InChIKeyUHHUHTIYOANXHB-UHFFFAOYSA-N
XLogP6.17
TPSA102.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.70
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]-2-methoxyphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]-2-methoxyphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide?
The IUPAC name of N-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]-2-methoxyphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide (CID 10348490) is N-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]-2-methoxyphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide.
What is the SMILES notation for N-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]-2-methoxyphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide?
The canonical SMILES for N-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]-2-methoxyphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide is COc1cc(OCCCN(C)Cc2ccc(OC)c(OC)c2)ccc1NC(=O)c1cccc2c(=O)c3cccc(C)c3[nH]c12.
What is the InChIKey of N-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]-2-methoxyphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide?
The InChIKey is UHHUHTIYOANXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N3O6/c1-22-9-6-10-25-32(22)37-33-26(34(25)39)11-7-12-27(33)35(40)36-28-15-14-24(20-30(28)42-4)44-18-8-17-38(2)21-23-13-16-29(41-3)31(19-23)43-5/h6-7,9-16,19-20H,8,17-18,21H2,1-5H3,(H,36,40)(H,37,39).
What are the key properties of N-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]-2-methoxyphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide?
N-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]-2-methoxyphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide has a molecular weight of 595.70 g/mol, XLogP of 6.17, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]-2-methoxyphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide is sourced from PubChem (CID 10348490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).