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

C34H35N3O4 — CID 10007709

IUPACN-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-methylphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide
SMILESCOc1ccc(CN(C)CCc2ccc(NC(=O)c3cccc4c(=O)c5cccc(C)c5[nH]c34)c(C)c2)cc1OC
InChIInChI=1S/C34H35N3O4/c1-21-8-6-9-25-31(21)36-32-26(33(25)38)10-7-11-27(32)34(39)35-28-14-12-23(18-22(28)2)16-17-37(3)20-24-13-15-29(40-4)30(19-24)41-5/h6-15,18-19H,16-17,20H2,1-5H3,(H,35,39)(H,36,38)
InChIKeyBELNZCMURHBJIO-UHFFFAOYSA-N
MW549.67 g/mol
LogP6.24
Rot. Bonds9

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

N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-methylphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide (PubChem CID 10007709) has the molecular formula C34H35N3O4 and a molecular weight of 549.67 g/mol. Its IUPAC name is N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-methylphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-methylphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide
PubChem CID10007709
Molecular FormulaC34H35N3O4
Molecular Weight549.67 g/mol
Exact Mass549.26
IUPAC NameN-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-methylphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide
SMILESCOc1ccc(CN(C)CCc2ccc(NC(=O)c3cccc4c(=O)c5cccc(C)c5[nH]c34)c(C)c2)cc1OC
InChIInChI=1S/C34H35N3O4/c1-21-8-6-9-25-31(21)36-32-26(33(25)38)10-7-11-27(32)34(39)35-28-14-12-23(18-22(28)2)16-17-37(3)20-24-13-15-29(40-4)30(19-24)41-5/h6-15,18-19H,16-17,20H2,1-5H3,(H,35,39)(H,36,38)
InChIKeyBELNZCMURHBJIO-UHFFFAOYSA-N
XLogP6.24
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.67
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-methylphenyl]-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-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-methylphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide?
The IUPAC name of N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-methylphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide (CID 10007709) is N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-methylphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide.
What is the SMILES notation for N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-methylphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide?
The canonical SMILES for N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-methylphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide is COc1ccc(CN(C)CCc2ccc(NC(=O)c3cccc4c(=O)c5cccc(C)c5[nH]c34)c(C)c2)cc1OC.
What is the InChIKey of N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-methylphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide?
The InChIKey is BELNZCMURHBJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O4/c1-21-8-6-9-25-31(21)36-32-26(33(25)38)10-7-11-27(32)34(39)35-28-14-12-23(18-22(28)2)16-17-37(3)20-24-13-15-29(40-4)30(19-24)41-5/h6-15,18-19H,16-17,20H2,1-5H3,(H,35,39)(H,36,38).
What are the key properties of N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-methylphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide?
N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-methylphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide has a molecular weight of 549.67 g/mol, XLogP of 6.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]-2-methylphenyl]-5-methyl-9-oxo-10H-acridine-4-carboxamide is sourced from PubChem (CID 10007709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).