(1-anilino-2,7-dimethoxyacridin-3-yl)methanol

C22H20N2O3 — CID 88511040

IUPAC(1-anilino-2,7-dimethoxyacridin-3-yl)methanol
SMILESCOc1ccc2nc3cc(CO)c(OC)c(Nc4ccccc4)c3cc2c1
InChIInChI=1S/C22H20N2O3/c1-26-17-8-9-19-14(10-17)11-18-20(24-19)12-15(13-25)22(27-2)21(18)23-16-6-4-3-5-7-16/h3-12,23,25H,13H2,1-2H3
InChIKeyOXZPESYAQYFLLG-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.64
Rot. Bonds5

About (1-anilino-2,7-dimethoxyacridin-3-yl)methanol

(1-anilino-2,7-dimethoxyacridin-3-yl)methanol (PubChem CID 88511040) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is (1-anilino-2,7-dimethoxyacridin-3-yl)methanol.

Molecular Properties

Compound Name(1-anilino-2,7-dimethoxyacridin-3-yl)methanol
PubChem CID88511040
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name(1-anilino-2,7-dimethoxyacridin-3-yl)methanol
SMILESCOc1ccc2nc3cc(CO)c(OC)c(Nc4ccccc4)c3cc2c1
InChIInChI=1S/C22H20N2O3/c1-26-17-8-9-19-14(10-17)11-18-20(24-19)12-15(13-25)22(27-2)21(18)23-16-6-4-3-5-7-16/h3-12,23,25H,13H2,1-2H3
InChIKeyOXZPESYAQYFLLG-UHFFFAOYSA-N
XLogP4.64
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

[3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol
CID 19749444
1-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-3-phenylurea
CID 127037354
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
[3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749110
4-N-(6-chloro-2-methoxyacridin-9-yl)benzene-1,4-diamine
CID 56666124
4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-ethylphenol
CID 155402944
[(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea
CID 11821082
N,N'-bis(3-methoxyacridin-9-yl)butane-1,4-diamine;hydrochloride
CID 54598620
[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]methanol
CID 19749183
[3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749250
methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate
CID 110435325
3-[4-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]piperazin-1-yl]propan-1-ol
CID 90671328

Frequently Asked Questions

What is the IUPAC name of (1-anilino-2,7-dimethoxyacridin-3-yl)methanol?
The IUPAC name of (1-anilino-2,7-dimethoxyacridin-3-yl)methanol (CID 88511040) is (1-anilino-2,7-dimethoxyacridin-3-yl)methanol.
What is the SMILES notation for (1-anilino-2,7-dimethoxyacridin-3-yl)methanol?
The canonical SMILES for (1-anilino-2,7-dimethoxyacridin-3-yl)methanol is COc1ccc2nc3cc(CO)c(OC)c(Nc4ccccc4)c3cc2c1.
What is the InChIKey of (1-anilino-2,7-dimethoxyacridin-3-yl)methanol?
The InChIKey is OXZPESYAQYFLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-26-17-8-9-19-14(10-17)11-18-20(24-19)12-15(13-25)22(27-2)21(18)23-16-6-4-3-5-7-16/h3-12,23,25H,13H2,1-2H3.
What are the key properties of (1-anilino-2,7-dimethoxyacridin-3-yl)methanol?
(1-anilino-2,7-dimethoxyacridin-3-yl)methanol has a molecular weight of 360.41 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-anilino-2,7-dimethoxyacridin-3-yl)methanol is sourced from PubChem (CID 88511040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).