5-cyclopropyl-3,8-dihydroxy-9-methylphenanthridin-6-one

C17H15NO3 — CID 164598275

IUPAC5-cyclopropyl-3,8-dihydroxy-9-methylphenanthridin-6-one
SMILESCc1cc2c(cc1O)c(=O)n(C1CC1)c1cc(O)ccc21
InChIInChI=1S/C17H15NO3/c1-9-6-13-12-5-4-11(19)7-15(12)18(10-2-3-10)17(21)14(13)8-16(9)20/h4-8,10,19-20H,2-3H2,1H3
InChIKeyWESHAKKULNZJDI-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.21
Rot. Bonds1

About 5-cyclopropyl-3,8-dihydroxy-9-methylphenanthridin-6-one

5-cyclopropyl-3,8-dihydroxy-9-methylphenanthridin-6-one (PubChem CID 164598275) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-cyclopropyl-3,8-dihydroxy-9-methylphenanthridin-6-one.

Molecular Properties

Compound Name5-cyclopropyl-3,8-dihydroxy-9-methylphenanthridin-6-one
PubChem CID164598275
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name5-cyclopropyl-3,8-dihydroxy-9-methylphenanthridin-6-one
SMILESCc1cc2c(cc1O)c(=O)n(C1CC1)c1cc(O)ccc21
InChIInChI=1S/C17H15NO3/c1-9-6-13-12-5-4-11(19)7-15(12)18(10-2-3-10)17(21)14(13)8-16(9)20/h4-8,10,19-20H,2-3H2,1H3
InChIKeyWESHAKKULNZJDI-UHFFFAOYSA-N
XLogP3.21
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3,8-dihydroxy-9-methylphenanthridin-6-one?
The IUPAC name of 5-cyclopropyl-3,8-dihydroxy-9-methylphenanthridin-6-one (CID 164598275) is 5-cyclopropyl-3,8-dihydroxy-9-methylphenanthridin-6-one.
What is the SMILES notation for 5-cyclopropyl-3,8-dihydroxy-9-methylphenanthridin-6-one?
The canonical SMILES for 5-cyclopropyl-3,8-dihydroxy-9-methylphenanthridin-6-one is Cc1cc2c(cc1O)c(=O)n(C1CC1)c1cc(O)ccc21.
What is the InChIKey of 5-cyclopropyl-3,8-dihydroxy-9-methylphenanthridin-6-one?
The InChIKey is WESHAKKULNZJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-9-6-13-12-5-4-11(19)7-15(12)18(10-2-3-10)17(21)14(13)8-16(9)20/h4-8,10,19-20H,2-3H2,1H3.
What are the key properties of 5-cyclopropyl-3,8-dihydroxy-9-methylphenanthridin-6-one?
5-cyclopropyl-3,8-dihydroxy-9-methylphenanthridin-6-one has a molecular weight of 281.31 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3,8-dihydroxy-9-methylphenanthridin-6-one is sourced from PubChem (CID 164598275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).