[3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate

C24H23N3O3 — CID 19749250

IUPAC[3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1cccc(Nc2c3ccc(C)cc3nc3ccc(OC)cc23)c1
InChIInChI=1S/C24H23N3O3/c1-15-7-9-19-22(11-15)27-21-10-8-18(29-3)13-20(21)23(19)26-17-6-4-5-16(12-17)14-30-24(28)25-2/h4-13H,14H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyFORZELUMFSKCGQ-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.30
Rot. Bonds5

About [3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate

[3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate (PubChem CID 19749250) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is [3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
PubChem CID19749250
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name[3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1cccc(Nc2c3ccc(C)cc3nc3ccc(OC)cc23)c1
InChIInChI=1S/C24H23N3O3/c1-15-7-9-19-22(11-15)27-21-10-8-18(29-3)13-20(21)23(19)26-17-6-4-5-16(12-17)14-30-24(28)25-2/h4-13H,14H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyFORZELUMFSKCGQ-UHFFFAOYSA-N
XLogP5.30
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze [3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate with MolForge

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

Launch Full Analysis

Related Compounds

[3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749110
[3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749120
[3-[(2-methoxy-7-methylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
CID 19749301
2-[3-[(2,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749513
[3-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
CID 19749128
2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749390
[4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate
CID 54470782
[3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol
CID 19749444
[3-[(3,6-dimethylacridin-9-yl)amino]phenyl]methanol
CID 19749143
ethane;2-methoxy-N,6-dimethylacridin-9-amine
CID 142806892
2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749338
2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate
CID 19749369

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate?
The IUPAC name of [3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate (CID 19749250) is [3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate.
What is the SMILES notation for [3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate?
The canonical SMILES for [3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate is CNC(=O)OCc1cccc(Nc2c3ccc(C)cc3nc3ccc(OC)cc23)c1.
What is the InChIKey of [3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate?
The InChIKey is FORZELUMFSKCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-15-7-9-19-22(11-15)27-21-10-8-18(29-3)13-20(21)23(19)26-17-6-4-5-16(12-17)14-30-24(28)25-2/h4-13H,14H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of [3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate?
[3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate has a molecular weight of 401.47 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate is sourced from PubChem (CID 19749250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).