5-butyl-7-methylphenanthridin-6-one

C18H19NO — CID 46885393

IUPAC5-butyl-7-methylphenanthridin-6-one
SMILESCCCCn1c(=O)c2c(C)cccc2c2ccccc21
InChIInChI=1S/C18H19NO/c1-3-4-12-19-16-11-6-5-9-14(16)15-10-7-8-13(2)17(15)18(19)20/h5-11H,3-4,12H2,1-2H3
InChIKeyRIBDPCMZFGPYBY-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.26
Rot. Bonds3

About 5-butyl-7-methylphenanthridin-6-one

5-butyl-7-methylphenanthridin-6-one (PubChem CID 46885393) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-butyl-7-methylphenanthridin-6-one.

Molecular Properties

Compound Name5-butyl-7-methylphenanthridin-6-one
PubChem CID46885393
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name5-butyl-7-methylphenanthridin-6-one
SMILESCCCCn1c(=O)c2c(C)cccc2c2ccccc21
InChIInChI=1S/C18H19NO/c1-3-4-12-19-16-11-6-5-9-14(16)15-10-7-8-13(2)17(15)18(19)20/h5-11H,3-4,12H2,1-2H3
InChIKeyRIBDPCMZFGPYBY-UHFFFAOYSA-N
XLogP4.26
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-butyl-7-methylphenanthridin-6-one?
The IUPAC name of 5-butyl-7-methylphenanthridin-6-one (CID 46885393) is 5-butyl-7-methylphenanthridin-6-one.
What is the SMILES notation for 5-butyl-7-methylphenanthridin-6-one?
The canonical SMILES for 5-butyl-7-methylphenanthridin-6-one is CCCCn1c(=O)c2c(C)cccc2c2ccccc21.
What is the InChIKey of 5-butyl-7-methylphenanthridin-6-one?
The InChIKey is RIBDPCMZFGPYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-4-12-19-16-11-6-5-9-14(16)15-10-7-8-13(2)17(15)18(19)20/h5-11H,3-4,12H2,1-2H3.
What are the key properties of 5-butyl-7-methylphenanthridin-6-one?
5-butyl-7-methylphenanthridin-6-one has a molecular weight of 265.36 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-7-methylphenanthridin-6-one is sourced from PubChem (CID 46885393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).