6-(3-aminophenyl)-5-methylphenanthridin-5-ium-8-ol

C20H17N2O+ — CID 24841110

IUPAC6-(3-aminophenyl)-5-methylphenanthridin-5-ium-8-ol
SMILESC[n+]1c(-c2cccc(N)c2)c2cc(O)ccc2c2ccccc21
InChIInChI=1S/C20H16N2O/c1-22-19-8-3-2-7-17(19)16-10-9-15(23)12-18(16)20(22)13-5-4-6-14(21)11-13/h2-12H,21H2,1H3/p+1
InChIKeyAUDBKRSWXJUBHQ-UHFFFAOYSA-O
MW301.37 g/mol
LogP3.77
Rot. Bonds1

About 6-(3-aminophenyl)-5-methylphenanthridin-5-ium-8-ol

6-(3-aminophenyl)-5-methylphenanthridin-5-ium-8-ol (PubChem CID 24841110) has the molecular formula C20H17N2O+ and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-(3-aminophenyl)-5-methylphenanthridin-5-ium-8-ol.

Molecular Properties

Compound Name6-(3-aminophenyl)-5-methylphenanthridin-5-ium-8-ol
PubChem CID24841110
Molecular FormulaC20H17N2O+
Molecular Weight301.37 g/mol
Exact Mass301.13
IUPAC Name6-(3-aminophenyl)-5-methylphenanthridin-5-ium-8-ol
SMILESC[n+]1c(-c2cccc(N)c2)c2cc(O)ccc2c2ccccc21
InChIInChI=1S/C20H16N2O/c1-22-19-8-3-2-7-17(19)16-10-9-15(23)12-18(16)20(22)13-5-4-6-14(21)11-13/h2-12H,21H2,1H3/p+1
InChIKeyAUDBKRSWXJUBHQ-UHFFFAOYSA-O
XLogP3.77
TPSA50.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)-5-methylphenanthridin-5-ium-8-ol?
The IUPAC name of 6-(3-aminophenyl)-5-methylphenanthridin-5-ium-8-ol (CID 24841110) is 6-(3-aminophenyl)-5-methylphenanthridin-5-ium-8-ol.
What is the SMILES notation for 6-(3-aminophenyl)-5-methylphenanthridin-5-ium-8-ol?
The canonical SMILES for 6-(3-aminophenyl)-5-methylphenanthridin-5-ium-8-ol is C[n+]1c(-c2cccc(N)c2)c2cc(O)ccc2c2ccccc21.
What is the InChIKey of 6-(3-aminophenyl)-5-methylphenanthridin-5-ium-8-ol?
The InChIKey is AUDBKRSWXJUBHQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H16N2O/c1-22-19-8-3-2-7-17(19)16-10-9-15(23)12-18(16)20(22)13-5-4-6-14(21)11-13/h2-12H,21H2,1H3/p+1.
What are the key properties of 6-(3-aminophenyl)-5-methylphenanthridin-5-ium-8-ol?
6-(3-aminophenyl)-5-methylphenanthridin-5-ium-8-ol has a molecular weight of 301.37 g/mol, XLogP of 3.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)-5-methylphenanthridin-5-ium-8-ol is sourced from PubChem (CID 24841110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).