[5-[(acridin-9-ylamino)methyl]-2,3-dimethoxyphenyl]methanol

C23H22N2O3 — CID 88869888

IUPAC[5-[(acridin-9-ylamino)methyl]-2,3-dimethoxyphenyl]methanol
SMILESCOc1cc(CNc2c3ccccc3nc3ccccc23)cc(CO)c1OC
InChIInChI=1S/C23H22N2O3/c1-27-21-12-15(11-16(14-26)23(21)28-2)13-24-22-17-7-3-5-9-19(17)25-20-10-6-4-8-18(20)22/h3-12,26H,13-14H2,1-2H3,(H,24,25)
InChIKeyVCHFCTLAYQYVPG-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.51
Rot. Bonds6

About [5-[(acridin-9-ylamino)methyl]-2,3-dimethoxyphenyl]methanol

[5-[(acridin-9-ylamino)methyl]-2,3-dimethoxyphenyl]methanol (PubChem CID 88869888) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is [5-[(acridin-9-ylamino)methyl]-2,3-dimethoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[(acridin-9-ylamino)methyl]-2,3-dimethoxyphenyl]methanol
PubChem CID88869888
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name[5-[(acridin-9-ylamino)methyl]-2,3-dimethoxyphenyl]methanol
SMILESCOc1cc(CNc2c3ccccc3nc3ccccc23)cc(CO)c1OC
InChIInChI=1S/C23H22N2O3/c1-27-21-12-15(11-16(14-26)23(21)28-2)13-24-22-17-7-3-5-9-19(17)25-20-10-6-4-8-18(20)22/h3-12,26H,13-14H2,1-2H3,(H,24,25)
InChIKeyVCHFCTLAYQYVPG-UHFFFAOYSA-N
XLogP4.51
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 69312797
[4-(4-methoxyquinolin-2-yl)phenyl]methanol
CID 46933322
2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 9483435
2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 9024030
1-benzyl-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea
CID 9284089
N'-acridin-9-yl-3,4,5-trimethoxybenzohydrazide
CID 3138565
4-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]quinoline-3-carbonitrile
CID 133319468
N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 122199173
4-(acridin-9-ylmethylamino)-2,6-dimethoxyphenol
CID 143288363
N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 868190
2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 22578012
1-benzyl-3-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylguanidine
CID 110953464

Frequently Asked Questions

What is the IUPAC name of [5-[(acridin-9-ylamino)methyl]-2,3-dimethoxyphenyl]methanol?
The IUPAC name of [5-[(acridin-9-ylamino)methyl]-2,3-dimethoxyphenyl]methanol (CID 88869888) is [5-[(acridin-9-ylamino)methyl]-2,3-dimethoxyphenyl]methanol.
What is the SMILES notation for [5-[(acridin-9-ylamino)methyl]-2,3-dimethoxyphenyl]methanol?
The canonical SMILES for [5-[(acridin-9-ylamino)methyl]-2,3-dimethoxyphenyl]methanol is COc1cc(CNc2c3ccccc3nc3ccccc23)cc(CO)c1OC.
What is the InChIKey of [5-[(acridin-9-ylamino)methyl]-2,3-dimethoxyphenyl]methanol?
The InChIKey is VCHFCTLAYQYVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-27-21-12-15(11-16(14-26)23(21)28-2)13-24-22-17-7-3-5-9-19(17)25-20-10-6-4-8-18(20)22/h3-12,26H,13-14H2,1-2H3,(H,24,25).
What are the key properties of [5-[(acridin-9-ylamino)methyl]-2,3-dimethoxyphenyl]methanol?
[5-[(acridin-9-ylamino)methyl]-2,3-dimethoxyphenyl]methanol has a molecular weight of 374.44 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(acridin-9-ylamino)methyl]-2,3-dimethoxyphenyl]methanol is sourced from PubChem (CID 88869888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).