2-[4-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate

C27H29N3O5 — CID 19749249

IUPAC2-[4-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCc1ccc(Nc2c3cc(OC)c(C)cc3nc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C27H29N3O5/c1-16-12-21-19(13-23(16)32-3)26(20-14-24(33-4)25(34-5)15-22(20)30-21)29-18-8-6-17(7-9-18)10-11-35-27(31)28-2/h6-9,12-15H,10-11H2,1-5H3,(H,28,31)(H,29,30)
InChIKeyKGMNKOXFLOHMGC-UHFFFAOYSA-N
MW475.55 g/mol
LogP5.36
Rot. Bonds8

About 2-[4-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate

2-[4-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate (PubChem CID 19749249) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-[4-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[4-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
PubChem CID19749249
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC Name2-[4-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCc1ccc(Nc2c3cc(OC)c(C)cc3nc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C27H29N3O5/c1-16-12-21-19(13-23(16)32-3)26(20-14-24(33-4)25(34-5)15-22(20)30-21)29-18-8-6-17(7-9-18)10-11-35-27(31)28-2/h6-9,12-15H,10-11H2,1-5H3,(H,28,31)(H,29,30)
InChIKeyKGMNKOXFLOHMGC-UHFFFAOYSA-N
XLogP5.36
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749338
2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749390
2-[4-[(3-methoxy-2,7-dimethylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate
CID 19749407
[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methanol
CID 19749170
2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate
CID 19749369
[4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate
CID 54470782
[3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749120
[3-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
CID 19749128
[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]methanol
CID 19749183
[4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
CID 19749280
[3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749250
[3-(acridin-9-ylamino)-5-aminophenyl]methyl N-methylcarbamate
CID 10248698

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate?
The IUPAC name of 2-[4-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate (CID 19749249) is 2-[4-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[4-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate?
The canonical SMILES for 2-[4-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate is CNC(=O)OCCc1ccc(Nc2c3cc(OC)c(C)cc3nc3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of 2-[4-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate?
The InChIKey is KGMNKOXFLOHMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-16-12-21-19(13-23(16)32-3)26(20-14-24(33-4)25(34-5)15-22(20)30-21)29-18-8-6-17(7-9-18)10-11-35-27(31)28-2/h6-9,12-15H,10-11H2,1-5H3,(H,28,31)(H,29,30).
What are the key properties of 2-[4-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate?
2-[4-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate has a molecular weight of 475.55 g/mol, XLogP of 5.36, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate is sourced from PubChem (CID 19749249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).