[4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate

C24H23N3O3 — CID 54470782

IUPAC[4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1ccc(Nc2c3ccccc3nc3ccc(COC)cc23)cc1
InChIInChI=1S/C24H23N3O3/c1-25-24(28)30-15-16-7-10-18(11-8-16)26-23-19-5-3-4-6-21(19)27-22-12-9-17(14-29-2)13-20(22)23/h3-13H,14-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyXIEZLYXKTXJHIG-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.13
Rot. Bonds6

About [4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate

[4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate (PubChem CID 54470782) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is [4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate
PubChem CID54470782
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name[4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1ccc(Nc2c3ccccc3nc3ccc(COC)cc23)cc1
InChIInChI=1S/C24H23N3O3/c1-25-24(28)30-15-16-7-10-18(11-8-16)26-23-19-5-3-4-6-21(19)27-22-12-9-17(14-29-2)13-20(22)23/h3-13H,14-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyXIEZLYXKTXJHIG-UHFFFAOYSA-N
XLogP5.13
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.13
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-(acridin-9-ylamino)-5-aminophenyl]methyl N-methylcarbamate
CID 10248698
[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-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749250
2-[4-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749249
2-[2-(acridin-9-ylamino)phenyl]ethyl N-methylcarbamate
CID 19749332
[4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
CID 19749280
2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749338
2-[3-[(2,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749513
(3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate
CID 71362008
[(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea
CID 11821082
2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749390

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate?
The IUPAC name of [4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate (CID 54470782) is [4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate.
What is the SMILES notation for [4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate?
The canonical SMILES for [4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate is CNC(=O)OCc1ccc(Nc2c3ccccc3nc3ccc(COC)cc23)cc1.
What is the InChIKey of [4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate?
The InChIKey is XIEZLYXKTXJHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-25-24(28)30-15-16-7-10-18(11-8-16)26-23-19-5-3-4-6-21(19)27-22-12-9-17(14-29-2)13-20(22)23/h3-13H,14-15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of [4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate?
[4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate has a molecular weight of 401.47 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate is sourced from PubChem (CID 54470782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).