[3-[(2-methoxy-7-methylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate

C26H27N3O3 — CID 19749301

IUPAC[3-[(2-methoxy-7-methylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
SMILESCOc1ccc2nc3ccc(C)cc3c(Nc3cccc(COC(=O)NC(C)C)c3)c2c1
InChIInChI=1S/C26H27N3O3/c1-16(2)27-26(30)32-15-18-6-5-7-19(13-18)28-25-21-12-17(3)8-10-23(21)29-24-11-9-20(31-4)14-22(24)25/h5-14,16H,15H2,1-4H3,(H,27,30)(H,28,29)
InChIKeyXVQUSMYCCGKKAK-UHFFFAOYSA-N
MW429.52 g/mol
LogP6.08
Rot. Bonds6

About [3-[(2-methoxy-7-methylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate

[3-[(2-methoxy-7-methylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate (PubChem CID 19749301) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is [3-[(2-methoxy-7-methylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[3-[(2-methoxy-7-methylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
PubChem CID19749301
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name[3-[(2-methoxy-7-methylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
SMILESCOc1ccc2nc3ccc(C)cc3c(Nc3cccc(COC(=O)NC(C)C)c3)c2c1
InChIInChI=1S/C26H27N3O3/c1-16(2)27-26(30)32-15-18-6-5-7-19(13-18)28-25-21-12-17(3)8-10-23(21)29-24-11-9-20(31-4)14-22(24)25/h5-14,16H,15H2,1-4H3,(H,27,30)(H,28,29)
InChIKeyXVQUSMYCCGKKAK-UHFFFAOYSA-N
XLogP6.08
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 56.08
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-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
CID 19749128
2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate
CID 19749369
[3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749120
[4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
CID 19749280
[3-[(2,3,7-trimethylacridin-9-yl)oxymethylamino]phenyl]methyl N-propan-2-ylcarbamate
CID 54570325
[3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749110
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690
2-[4-[(3-methoxy-2,7-dimethylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate
CID 19749407
[3-[(2,7-dimethylacridin-9-yl)amino]phenyl]methanol
CID 19749137
2-[3-[(2,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749513
[3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol
CID 19749444

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxy-7-methylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate?
The IUPAC name of [3-[(2-methoxy-7-methylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate (CID 19749301) is [3-[(2-methoxy-7-methylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate.
What is the SMILES notation for [3-[(2-methoxy-7-methylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate?
The canonical SMILES for [3-[(2-methoxy-7-methylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate is COc1ccc2nc3ccc(C)cc3c(Nc3cccc(COC(=O)NC(C)C)c3)c2c1.
What is the InChIKey of [3-[(2-methoxy-7-methylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate?
The InChIKey is XVQUSMYCCGKKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-16(2)27-26(30)32-15-18-6-5-7-19(13-18)28-25-21-12-17(3)8-10-23(21)29-24-11-9-20(31-4)14-22(24)25/h5-14,16H,15H2,1-4H3,(H,27,30)(H,28,29).
What are the key properties of [3-[(2-methoxy-7-methylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate?
[3-[(2-methoxy-7-methylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate has a molecular weight of 429.52 g/mol, XLogP of 6.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methoxy-7-methylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate is sourced from PubChem (CID 19749301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).