1-[(acridin-9-ylamino)methyl]naphthalen-2-ol

C24H18N2O — CID 52939432

IUPAC1-[(acridin-9-ylamino)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C24H18N2O/c27-23-14-13-16-7-1-2-8-17(16)20(23)15-25-24-18-9-3-5-11-21(18)26-22-12-6-4-10-19(22)24/h1-14,27H,15H2,(H,25,26)
InChIKeyIECGKPKCAUNYCN-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.86
Rot. Bonds3

About 1-[(acridin-9-ylamino)methyl]naphthalen-2-ol

1-[(acridin-9-ylamino)methyl]naphthalen-2-ol (PubChem CID 52939432) has the molecular formula C24H18N2O and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[(acridin-9-ylamino)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(acridin-9-ylamino)methyl]naphthalen-2-ol
PubChem CID52939432
Molecular FormulaC24H18N2O
Molecular Weight350.42 g/mol
Exact Mass350.14
IUPAC Name1-[(acridin-9-ylamino)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C24H18N2O/c27-23-14-13-16-7-1-2-8-17(16)20(23)15-25-24-18-9-3-5-11-21(18)26-22-12-6-4-10-19(22)24/h1-14,27H,15H2,(H,25,26)
InChIKeyIECGKPKCAUNYCN-UHFFFAOYSA-N
XLogP5.86
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-6-methylanilino)methyl]naphthalen-2-ol
CID 66257993
2-[(acridin-9-ylamino)methyl]-4-nitrophenol
CID 45103228
1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol
CID 61166416
1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol
CID 63933523
1-[[(1-ethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol
CID 43543502
1-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol
CID 104954359
2-[2-[(2-hydroxynaphthalen-1-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 9148727
2-[(2-hydroxynaphthalen-1-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9149242
N,N'-di(acridin-9-yl)hexadecane-1,16-diamine;dihydrochloride
CID 131881606
1-[[(2-hydroxy-3,3-dimethylbutyl)amino]methyl]naphthalen-2-ol
CID 111119224
1-(2-hydroxyethyl)naphthalen-2-ol
CID 19602212
1-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]naphthalen-2-ol
CID 111118565

Frequently Asked Questions

What is the IUPAC name of 1-[(acridin-9-ylamino)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(acridin-9-ylamino)methyl]naphthalen-2-ol (CID 52939432) is 1-[(acridin-9-ylamino)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(acridin-9-ylamino)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(acridin-9-ylamino)methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1CNc1c2ccccc2nc2ccccc12.
What is the InChIKey of 1-[(acridin-9-ylamino)methyl]naphthalen-2-ol?
The InChIKey is IECGKPKCAUNYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O/c27-23-14-13-16-7-1-2-8-17(16)20(23)15-25-24-18-9-3-5-11-21(18)26-22-12-6-4-10-19(22)24/h1-14,27H,15H2,(H,25,26).
What are the key properties of 1-[(acridin-9-ylamino)methyl]naphthalen-2-ol?
1-[(acridin-9-ylamino)methyl]naphthalen-2-ol has a molecular weight of 350.42 g/mol, XLogP of 5.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(acridin-9-ylamino)methyl]naphthalen-2-ol is sourced from PubChem (CID 52939432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).