5-butyl-3-methylphenanthridin-6-one

C18H19NO — CID 46885391

IUPAC5-butyl-3-methylphenanthridin-6-one
SMILESCCCCn1c(=O)c2ccccc2c2ccc(C)cc21
InChIInChI=1S/C18H19NO/c1-3-4-11-19-17-12-13(2)9-10-15(17)14-7-5-6-8-16(14)18(19)20/h5-10,12H,3-4,11H2,1-2H3
InChIKeyNJDQCDHDEHLJJZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.26
Rot. Bonds3

About 5-butyl-3-methylphenanthridin-6-one

5-butyl-3-methylphenanthridin-6-one (PubChem CID 46885391) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-butyl-3-methylphenanthridin-6-one.

Molecular Properties

Compound Name5-butyl-3-methylphenanthridin-6-one
PubChem CID46885391
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name5-butyl-3-methylphenanthridin-6-one
SMILESCCCCn1c(=O)c2ccccc2c2ccc(C)cc21
InChIInChI=1S/C18H19NO/c1-3-4-11-19-17-12-13(2)9-10-15(17)14-7-5-6-8-16(14)18(19)20/h5-10,12H,3-4,11H2,1-2H3
InChIKeyNJDQCDHDEHLJJZ-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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Related Compounds

6(5H)-Phenanthridinone
CID 1853
2-butyl-6-(butylamino)-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 87935
PJ-34
CID 4858
2-aminophenanthridin-6(5H)-one
CID 270668
6-Dimethylamino-2-methyl-benzo[de]isoquinoline-1,3-dione
CID 2849973
2-(4-Methylphenyl)isoquinoline-1,3(2H,4H)-dione
CID 3739108
Darenzepine
CID 9819661
1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide
CID 156024937
2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)phenanthridin-6(5H)-one
CID 10216071
3-Morpholin-4-ylmethyl-5H-phenanthridin-6-one
CID 44403357
10-(6-(diethylamino)hexyl)acridin-9(10H)-one
CID 44566054
N-(2-aminophenyl)-4-[(3,4-dihydro-4-methylene-1-oxo-2(1H)-isoquinolinyl)methyl]-benzamide
CID 56965342

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-methylphenanthridin-6-one?
The IUPAC name of 5-butyl-3-methylphenanthridin-6-one (CID 46885391) is 5-butyl-3-methylphenanthridin-6-one.
What is the SMILES notation for 5-butyl-3-methylphenanthridin-6-one?
The canonical SMILES for 5-butyl-3-methylphenanthridin-6-one is CCCCn1c(=O)c2ccccc2c2ccc(C)cc21.
What is the InChIKey of 5-butyl-3-methylphenanthridin-6-one?
The InChIKey is NJDQCDHDEHLJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-4-11-19-17-12-13(2)9-10-15(17)14-7-5-6-8-16(14)18(19)20/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of 5-butyl-3-methylphenanthridin-6-one?
5-butyl-3-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-3-methylphenanthridin-6-one is sourced from PubChem (CID 46885391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).