[3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate

C25H25N3O2 — CID 19749120

IUPAC[3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1cccc(Nc2c3cc(C)ccc3nc3cc(C)c(C)cc23)c1
InChIInChI=1S/C25H25N3O2/c1-15-8-9-22-20(10-15)24(21-11-16(2)17(3)12-23(21)28-22)27-19-7-5-6-18(13-19)14-30-25(29)26-4/h5-13H,14H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyOOQJAUGIPGJFHK-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.91
Rot. Bonds4

About [3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate

[3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate (PubChem CID 19749120) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is [3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
PubChem CID19749120
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name[3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1cccc(Nc2c3cc(C)ccc3nc3cc(C)c(C)cc23)c1
InChIInChI=1S/C25H25N3O2/c1-15-8-9-22-20(10-15)24(21-11-16(2)17(3)12-23(21)28-22)27-19-7-5-6-18(13-19)14-30-25(29)26-4/h5-13H,14H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyOOQJAUGIPGJFHK-UHFFFAOYSA-N
XLogP5.91
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749250
2-[3-[(2,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749513
[3-[(2-methoxy-7-methylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
CID 19749301
[3-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
CID 19749128
[3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749110
[3-[(2,3,7-trimethylacridin-9-yl)oxymethylamino]phenyl]methyl N-propan-2-ylcarbamate
CID 54570325
[3-[(2,7-dimethylacridin-9-yl)amino]phenyl]methanol
CID 19749137
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-(acridin-9-ylamino)-5-aminophenyl]methyl N-methylcarbamate
CID 10248698
2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749338
[3-[(3,6-dimethylacridin-9-yl)amino]phenyl]methanol
CID 19749143

Frequently Asked Questions

What is the IUPAC name of [3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate?
The IUPAC name of [3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate (CID 19749120) is [3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate.
What is the SMILES notation for [3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate?
The canonical SMILES for [3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate is CNC(=O)OCc1cccc(Nc2c3cc(C)ccc3nc3cc(C)c(C)cc23)c1.
What is the InChIKey of [3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate?
The InChIKey is OOQJAUGIPGJFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-15-8-9-22-20(10-15)24(21-11-16(2)17(3)12-23(21)28-22)27-19-7-5-6-18(13-19)14-30-25(29)26-4/h5-13H,14H2,1-4H3,(H,26,29)(H,27,28).
What are the key properties of [3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate?
[3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate has a molecular weight of 399.49 g/mol, XLogP of 5.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate is sourced from PubChem (CID 19749120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).