2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate

C27H29N3O6 — CID 19749390

IUPAC2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCc1cccc(Nc2c3cc(OC)c(OC)cc3nc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C27H29N3O6/c1-28-27(31)36-10-9-16-7-6-8-17(11-16)29-26-18-12-22(32-2)24(34-4)14-20(18)30-21-15-25(35-5)23(33-3)13-19(21)26/h6-8,11-15H,9-10H2,1-5H3,(H,28,31)(H,29,30)
InChIKeyUADDCNYYTIGANX-UHFFFAOYSA-N
MW491.54 g/mol
LogP5.06
Rot. Bonds9

About 2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate

2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate (PubChem CID 19749390) has the molecular formula C27H29N3O6 and a molecular weight of 491.54 g/mol. Its IUPAC name is 2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
PubChem CID19749390
Molecular FormulaC27H29N3O6
Molecular Weight491.54 g/mol
Exact Mass491.21
IUPAC Name2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCc1cccc(Nc2c3cc(OC)c(OC)cc3nc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C27H29N3O6/c1-28-27(31)36-10-9-16-7-6-8-17(11-16)29-26-18-12-22(32-2)24(34-4)14-20(18)30-21-15-25(35-5)23(33-3)13-19(21)26/h6-8,11-15H,9-10H2,1-5H3,(H,28,31)(H,29,30)
InChIKeyUADDCNYYTIGANX-UHFFFAOYSA-N
XLogP5.06
TPSA100.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.54
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749249
2-[3-[(2,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749513
[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]methanol
CID 19749183
2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749338
[3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749120
[3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749110
[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
[3-(acridin-9-ylamino)-5-aminophenyl]methyl N-methylcarbamate
CID 10248698
2-[4-[(3-methoxy-2,7-dimethylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate
CID 19749407
2-[2-(acridin-9-ylamino)phenyl]ethyl N-methylcarbamate
CID 19749332
[4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate
CID 54470782

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate?
The IUPAC name of 2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate (CID 19749390) is 2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate?
The canonical SMILES for 2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate is CNC(=O)OCCc1cccc(Nc2c3cc(OC)c(OC)cc3nc3cc(OC)c(OC)cc23)c1.
What is the InChIKey of 2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate?
The InChIKey is UADDCNYYTIGANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O6/c1-28-27(31)36-10-9-16-7-6-8-17(11-16)29-26-18-12-22(32-2)24(34-4)14-20(18)30-21-15-25(35-5)23(33-3)13-19(21)26/h6-8,11-15H,9-10H2,1-5H3,(H,28,31)(H,29,30).
What are the key properties of 2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate?
2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate has a molecular weight of 491.54 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate is sourced from PubChem (CID 19749390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).