[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]methanol

C24H24N2O5 — CID 19749183

IUPAC[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]methanol
SMILESCOc1cc2nc3cc(OC)c(OC)cc3c(Nc3cccc(CO)c3)c2cc1OC
InChIInChI=1S/C24H24N2O5/c1-28-20-9-16-18(11-22(20)30-3)26-19-12-23(31-4)21(29-2)10-17(19)24(16)25-15-7-5-6-14(8-15)13-27/h5-12,27H,13H2,1-4H3,(H,25,26)
InChIKeyCXFZRZIZNLSXJU-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.66
Rot. Bonds7

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

[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]methanol (PubChem CID 19749183) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is [3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]methanol
PubChem CID19749183
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]methanol
SMILESCOc1cc2nc3cc(OC)c(OC)cc3c(Nc3cccc(CO)c3)c2cc1OC
InChIInChI=1S/C24H24N2O5/c1-28-20-9-16-18(11-22(20)30-3)26-19-12-23(31-4)21(29-2)10-17(19)24(16)25-15-7-5-6-14(8-15)13-27/h5-12,27H,13H2,1-4H3,(H,25,26)
InChIKeyCXFZRZIZNLSXJU-UHFFFAOYSA-N
XLogP4.66
TPSA82.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.66
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-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749390
[3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol
CID 19749444
[3-[(2,7-dimethylacridin-9-yl)amino]phenyl]methanol
CID 19749137
[3-[(3,6-dimethylacridin-9-yl)amino]phenyl]methanol
CID 19749143
[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methanol
CID 19749170
[3-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
CID 19749128
[3,5-bis(acridin-9-ylamino)phenyl]methanol
CID 10368395
2-[4-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749249
4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853
[3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749120
1-[4-[4-[3-(hydroxymethyl)anilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 155243048
[3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749110

Frequently Asked Questions

What is the IUPAC name of [3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]methanol?
The IUPAC name of [3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]methanol (CID 19749183) is [3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]methanol.
What is the SMILES notation for [3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]methanol?
The canonical SMILES for [3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]methanol is COc1cc2nc3cc(OC)c(OC)cc3c(Nc3cccc(CO)c3)c2cc1OC.
What is the InChIKey of [3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]methanol?
The InChIKey is CXFZRZIZNLSXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-28-20-9-16-18(11-22(20)30-3)26-19-12-23(31-4)21(29-2)10-17(19)24(16)25-15-7-5-6-14(8-15)13-27/h5-12,27H,13H2,1-4H3,(H,25,26).
What are the key properties of [3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]methanol?
[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]methanol has a molecular weight of 420.47 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]methanol is sourced from PubChem (CID 19749183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).