[3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate

C23H21N3O3 — CID 19749110

IUPAC[3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1cccc(Nc2c3ccccc3nc3cc(OC)ccc23)c1
InChIInChI=1S/C23H21N3O3/c1-24-23(27)29-14-15-6-5-7-16(12-15)25-22-18-8-3-4-9-20(18)26-21-13-17(28-2)10-11-19(21)22/h3-13H,14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyWHQGLHBSMAJJII-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.00
Rot. Bonds5

About [3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate

[3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate (PubChem CID 19749110) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is [3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
PubChem CID19749110
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name[3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1cccc(Nc2c3ccccc3nc3cc(OC)ccc23)c1
InChIInChI=1S/C23H21N3O3/c1-24-23(27)29-14-15-6-5-7-16(12-15)25-22-18-8-3-4-9-20(18)26-21-13-17(28-2)10-11-19(21)22/h3-13H,14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyWHQGLHBSMAJJII-UHFFFAOYSA-N
XLogP5.00
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 55.00
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'}

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Related Compounds

[3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749250
[3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol
CID 19749444
[3-(acridin-9-ylamino)-5-aminophenyl]methyl N-methylcarbamate
CID 10248698
[3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749120
[4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate
CID 54470782
[3-[(2-methoxy-7-methylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
CID 19749301
[4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
CID 19749280
2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749390
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
4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide
CID 174510815
N,N'-bis(3-methoxyacridin-9-yl)butane-1,4-diamine;hydrochloride
CID 54598620

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate?
The IUPAC name of [3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate (CID 19749110) is [3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate.
What is the SMILES notation for [3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate?
The canonical SMILES for [3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate is CNC(=O)OCc1cccc(Nc2c3ccccc3nc3cc(OC)ccc23)c1.
What is the InChIKey of [3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate?
The InChIKey is WHQGLHBSMAJJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-24-23(27)29-14-15-6-5-7-16(12-15)25-22-18-8-3-4-9-20(18)26-21-13-17(28-2)10-11-19(21)22/h3-13H,14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of [3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate?
[3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate has a molecular weight of 387.44 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate is sourced from PubChem (CID 19749110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).