[4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate

C26H27N3O4 — CID 19749280

IUPAC[4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
SMILESCOc1ccc2c(Nc3ccc(COC(=O)NC(C)C)cc3)c3ccc(OC)cc3nc2c1
InChIInChI=1S/C26H27N3O4/c1-16(2)27-26(30)33-15-17-5-7-18(8-6-17)28-25-21-11-9-19(31-3)13-23(21)29-24-14-20(32-4)10-12-22(24)25/h5-14,16H,15H2,1-4H3,(H,27,30)(H,28,29)
InChIKeyVHAZEJYISAAKCT-UHFFFAOYSA-N
MW445.52 g/mol
LogP5.78
Rot. Bonds7

About [4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate

[4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate (PubChem CID 19749280) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is [4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
PubChem CID19749280
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name[4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
SMILESCOc1ccc2c(Nc3ccc(COC(=O)NC(C)C)cc3)c3ccc(OC)cc3nc2c1
InChIInChI=1S/C26H27N3O4/c1-16(2)27-26(30)33-15-17-5-7-18(8-6-17)28-25-21-11-9-19(31-3)13-23(21)29-24-14-20(32-4)10-12-22(24)25/h5-14,16H,15H2,1-4H3,(H,27,30)(H,28,29)
InChIKeyVHAZEJYISAAKCT-UHFFFAOYSA-N
XLogP5.78
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate
CID 19749369
[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-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-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749250
[4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate
CID 54470782
[3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol
CID 19749444
(2R)-3-hydroxy-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoic acid
CID 18611397
2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749338
1-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-3-phenylurea
CID 127037354

Frequently Asked Questions

What is the IUPAC name of [4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate?
The IUPAC name of [4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate (CID 19749280) is [4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate.
What is the SMILES notation for [4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate?
The canonical SMILES for [4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate is COc1ccc2c(Nc3ccc(COC(=O)NC(C)C)cc3)c3ccc(OC)cc3nc2c1.
What is the InChIKey of [4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate?
The InChIKey is VHAZEJYISAAKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-16(2)27-26(30)33-15-17-5-7-18(8-6-17)28-25-21-11-9-19(31-3)13-23(21)29-24-14-20(32-4)10-12-22(24)25/h5-14,16H,15H2,1-4H3,(H,27,30)(H,28,29).
What are the key properties of [4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate?
[4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate has a molecular weight of 445.52 g/mol, XLogP of 5.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate is sourced from PubChem (CID 19749280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).