2-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenol

C27H30ClN5O2 — CID 155402885

IUPAC2-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenol
SMILESCOc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(CCN)CC4)c3)c2c1
InChIInChI=1S/C27H30ClN5O2/c1-35-21-4-6-24-23(16-21)27(22-5-2-19(28)15-25(22)31-24)30-20-3-7-26(34)18(14-20)17-33-12-10-32(9-8-29)11-13-33/h2-7,14-16,34H,8-13,17,29H2,1H3,(H,30,31)
InChIKeyPXRZXCYCAAMZMB-UHFFFAOYSA-N
MW492.02 g/mol
LogP4.58
Rot. Bonds7

About 2-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenol

2-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenol (PubChem CID 155402885) has the molecular formula C27H30ClN5O2 and a molecular weight of 492.02 g/mol. Its IUPAC name is 2-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenol.

Molecular Properties

Compound Name2-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenol
PubChem CID155402885
Molecular FormulaC27H30ClN5O2
Molecular Weight492.02 g/mol
Exact Mass491.21
IUPAC Name2-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenol
SMILESCOc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(CCN)CC4)c3)c2c1
InChIInChI=1S/C27H30ClN5O2/c1-35-21-4-6-24-23(16-21)27(22-5-2-19(28)15-25(22)31-24)30-20-3-7-26(34)18(14-20)17-33-12-10-32(9-8-29)11-13-33/h2-7,14-16,34H,8-13,17,29H2,1H3,(H,30,31)
InChIKeyPXRZXCYCAAMZMB-UHFFFAOYSA-N
XLogP4.58
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.02
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[[5-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-hydroxyphenyl]methyl]piperazin-1-yl]-2,2-dimethylpropanamide
CID 155402943
4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-ethylphenol
CID 155402944
3-[4-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]piperazin-1-yl]propan-1-ol
CID 90671328
4-N-(6-chloro-2-methoxyacridin-9-yl)benzene-1,4-diamine
CID 56666124
6-chloro-2-methoxy-N-(4-piperazin-1-ylbutyl)acridin-9-amine
CID 44531431
1-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-3-phenylurea
CID 127037354
N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
CID 511167
N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
2-N-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 46186895
[(Z)-[amino-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea
CID 11821083
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543
4-[(7-chloroquinolin-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)phenol;hydron;dichloride
CID 91981319

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenol?
The IUPAC name of 2-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenol (CID 155402885) is 2-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenol.
What is the SMILES notation for 2-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenol?
The canonical SMILES for 2-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenol is COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(CCN)CC4)c3)c2c1.
What is the InChIKey of 2-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenol?
The InChIKey is PXRZXCYCAAMZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O2/c1-35-21-4-6-24-23(16-21)27(22-5-2-19(28)15-25(22)31-24)30-20-3-7-26(34)18(14-20)17-33-12-10-32(9-8-29)11-13-33/h2-7,14-16,34H,8-13,17,29H2,1H3,(H,30,31).
What are the key properties of 2-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenol?
2-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenol has a molecular weight of 492.02 g/mol, XLogP of 4.58, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenol is sourced from PubChem (CID 155402885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).