5-butyl-2-propan-2-ylphenanthridin-6-one

C20H23NO — CID 46885468

IUPAC5-butyl-2-propan-2-ylphenanthridin-6-one
SMILESCCCCn1c(=O)c2ccccc2c2cc(C(C)C)ccc21
InChIInChI=1S/C20H23NO/c1-4-5-12-21-19-11-10-15(14(2)3)13-18(19)16-8-6-7-9-17(16)20(21)22/h6-11,13-14H,4-5,12H2,1-3H3
InChIKeyNHAQARSWGHBJSH-UHFFFAOYSA-N
MW293.41 g/mol
LogP5.08
Rot. Bonds4

About 5-butyl-2-propan-2-ylphenanthridin-6-one

5-butyl-2-propan-2-ylphenanthridin-6-one (PubChem CID 46885468) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-butyl-2-propan-2-ylphenanthridin-6-one.

Molecular Properties

Compound Name5-butyl-2-propan-2-ylphenanthridin-6-one
PubChem CID46885468
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name5-butyl-2-propan-2-ylphenanthridin-6-one
SMILESCCCCn1c(=O)c2ccccc2c2cc(C(C)C)ccc21
InChIInChI=1S/C20H23NO/c1-4-5-12-21-19-11-10-15(14(2)3)13-18(19)16-8-6-7-9-17(16)20(21)22/h6-11,13-14H,4-5,12H2,1-3H3
InChIKeyNHAQARSWGHBJSH-UHFFFAOYSA-N
XLogP5.08
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.41
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-butyl-2-propan-2-ylphenanthridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6(5H)-Phenanthridinone
CID 1853
2-butyl-6-(butylamino)-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 87935
4-(N-methyl-2-phenylethylamino)-1-(3,5-dimethyl-4-propionylaminobenzoyl)piperidine
CID 219020
PJ-34
CID 4858
Solvent Yellow 44
CID 75589
1-Methyl-1,2,3,4-tetrahydroquinoline-6-carbaldehyde
CID 2793014
6-Dimethylamino-2-methyl-benzo[de]isoquinoline-1,3-dione
CID 2849973
2-(4-Methylphenyl)isoquinoline-1,3(2H,4H)-dione
CID 3739108
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
4,4-Dimethyl-2-(4-methylphenyl)isoquinoline-1,3-dione
CID 2255761
2-Methyl-6-methylamino-benzo[de]isoquinoline-1,3-dione
CID 3109741

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-propan-2-ylphenanthridin-6-one?
The IUPAC name of 5-butyl-2-propan-2-ylphenanthridin-6-one (CID 46885468) is 5-butyl-2-propan-2-ylphenanthridin-6-one.
What is the SMILES notation for 5-butyl-2-propan-2-ylphenanthridin-6-one?
The canonical SMILES for 5-butyl-2-propan-2-ylphenanthridin-6-one is CCCCn1c(=O)c2ccccc2c2cc(C(C)C)ccc21.
What is the InChIKey of 5-butyl-2-propan-2-ylphenanthridin-6-one?
The InChIKey is NHAQARSWGHBJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-4-5-12-21-19-11-10-15(14(2)3)13-18(19)16-8-6-7-9-17(16)20(21)22/h6-11,13-14H,4-5,12H2,1-3H3.
What are the key properties of 5-butyl-2-propan-2-ylphenanthridin-6-one?
5-butyl-2-propan-2-ylphenanthridin-6-one has a molecular weight of 293.41 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-propan-2-ylphenanthridin-6-one is sourced from PubChem (CID 46885468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).