4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-ethylphenol

C22H19ClN2O2 — CID 155402944

IUPAC4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-ethylphenol
SMILESCCc1cc(Nc2c3ccc(Cl)cc3nc3ccc(OC)cc23)ccc1O
InChIInChI=1S/C22H19ClN2O2/c1-3-13-10-15(5-9-21(13)26)24-22-17-7-4-14(23)11-20(17)25-19-8-6-16(27-2)12-18(19)22/h4-12,26H,3H2,1-2H3,(H,24,25)
InChIKeyBDXVPYRYGLACNU-UHFFFAOYSA-N
MW378.86 g/mol
LogP6.06
Rot. Bonds4

About 4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-ethylphenol

4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-ethylphenol (PubChem CID 155402944) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-ethylphenol.

Molecular Properties

Compound Name4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-ethylphenol
PubChem CID155402944
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-ethylphenol
SMILESCCc1cc(Nc2c3ccc(Cl)cc3nc3ccc(OC)cc23)ccc1O
InChIInChI=1S/C22H19ClN2O2/c1-3-13-10-15(5-9-21(13)26)24-22-17-7-4-14(23)11-20(17)25-19-8-6-16(27-2)12-18(19)22/h4-12,26H,3H2,1-2H3,(H,24,25)
InChIKeyBDXVPYRYGLACNU-UHFFFAOYSA-N
XLogP6.06
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenol
CID 155402885
3-[4-[[5-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-hydroxyphenyl]methyl]piperazin-1-yl]-2,2-dimethylpropanamide
CID 155402943
4-N-(6-chloro-2-methoxyacridin-9-yl)benzene-1,4-diamine
CID 56666124
1-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-3-phenylurea
CID 127037354
[(Z)-[amino-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea
CID 11821083
4-[(6-chloro-2-methoxyacridin-9-yl)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 5270854
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
N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543
3-[4-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]piperazin-1-yl]propan-1-ol
CID 90671328
6-chloro-2-methoxy-N-octylacridin-9-amine
CID 44537218
6-chloro-9-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethylamino]acridin-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 21198481

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-ethylphenol?
The IUPAC name of 4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-ethylphenol (CID 155402944) is 4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-ethylphenol.
What is the SMILES notation for 4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-ethylphenol?
The canonical SMILES for 4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-ethylphenol is CCc1cc(Nc2c3ccc(Cl)cc3nc3ccc(OC)cc23)ccc1O.
What is the InChIKey of 4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-ethylphenol?
The InChIKey is BDXVPYRYGLACNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-3-13-10-15(5-9-21(13)26)24-22-17-7-4-14(23)11-20(17)25-19-8-6-16(27-2)12-18(19)22/h4-12,26H,3H2,1-2H3,(H,24,25).
What are the key properties of 4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-ethylphenol?
4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-ethylphenol has a molecular weight of 378.86 g/mol, XLogP of 6.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-ethylphenol is sourced from PubChem (CID 155402944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).