[3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol

C21H18N2O2 — CID 19749444

IUPAC[3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol
SMILESCOc1ccc2c(Nc3cccc(CO)c3)c3ccccc3nc2c1
InChIInChI=1S/C21H18N2O2/c1-25-16-9-10-18-20(12-16)23-19-8-3-2-7-17(19)21(18)22-15-6-4-5-14(11-15)13-24/h2-12,24H,13H2,1H3,(H,22,23)
InChIKeyRHZYQOSFWTYISR-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.63
Rot. Bonds4

About [3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol

[3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol (PubChem CID 19749444) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is [3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol
PubChem CID19749444
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name[3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol
SMILESCOc1ccc2c(Nc3cccc(CO)c3)c3ccccc3nc2c1
InChIInChI=1S/C21H18N2O2/c1-25-16-9-10-18-20(12-16)23-19-8-3-2-7-17(19)21(18)22-15-6-4-5-14(11-15)13-24/h2-12,24H,13H2,1H3,(H,22,23)
InChIKeyRHZYQOSFWTYISR-UHFFFAOYSA-N
XLogP4.63
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749110
[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]methanol
CID 19749183
[3-[(3,6-dimethylacridin-9-yl)amino]phenyl]methanol
CID 19749143
[3,5-bis(acridin-9-ylamino)phenyl]methanol
CID 10368395
[3-[(2,7-dimethylacridin-9-yl)amino]phenyl]methanol
CID 19749137
N,N'-bis(3-methoxyacridin-9-yl)butane-1,4-diamine;hydrochloride
CID 54598620
[3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749250
(1-anilino-2,7-dimethoxyacridin-3-yl)methanol
CID 88511040
4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide
CID 174510815
2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]propanoic acid
CID 18962341
1-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-3-phenylurea
CID 127037354
2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]acetic acid
CID 18962347

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol?
The IUPAC name of [3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol (CID 19749444) is [3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol.
What is the SMILES notation for [3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol?
The canonical SMILES for [3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol is COc1ccc2c(Nc3cccc(CO)c3)c3ccccc3nc2c1.
What is the InChIKey of [3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol?
The InChIKey is RHZYQOSFWTYISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-25-16-9-10-18-20(12-16)23-19-8-3-2-7-17(19)21(18)22-15-6-4-5-14(11-15)13-24/h2-12,24H,13H2,1H3,(H,22,23).
What are the key properties of [3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol?
[3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol has a molecular weight of 330.39 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol is sourced from PubChem (CID 19749444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).