5-benzyl-10-methylphenanthridin-6-one

C21H17NO — CID 71505961

IUPAC5-benzyl-10-methylphenanthridin-6-one
SMILESCc1cccc2c(=O)n(Cc3ccccc3)c3ccccc3c12
InChIInChI=1S/C21H17NO/c1-15-8-7-12-18-20(15)17-11-5-6-13-19(17)22(21(18)23)14-16-9-3-2-4-10-16/h2-13H,14H2,1H3
InChIKeyPNNDTKPCMCUDAM-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.51
Rot. Bonds2

About 5-benzyl-10-methylphenanthridin-6-one

5-benzyl-10-methylphenanthridin-6-one (PubChem CID 71505961) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-benzyl-10-methylphenanthridin-6-one.

Molecular Properties

Compound Name5-benzyl-10-methylphenanthridin-6-one
PubChem CID71505961
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name5-benzyl-10-methylphenanthridin-6-one
SMILESCc1cccc2c(=O)n(Cc3ccccc3)c3ccccc3c12
InChIInChI=1S/C21H17NO/c1-15-8-7-12-18-20(15)17-11-5-6-13-19(17)22(21(18)23)14-16-9-3-2-4-10-16/h2-13H,14H2,1H3
InChIKeyPNNDTKPCMCUDAM-UHFFFAOYSA-N
XLogP4.51
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.51
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

5-benzyl-2,9-dimethylphenanthridin-6-one
CID 86257513
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CID 101390090
2-acetyl-9-benzyl-4-methylpyrido[3,4-b]indol-1-one
CID 102516280
5-benzyl-8-chlorophenanthridin-6-one
CID 71506154
7-benzyl-5-methoxyindolo[2,3-c]quinolin-6-one
CID 122401287
3-benzyl-8-methyl-2-(4-methylphenyl)quinazolin-4-one
CID 175460267
1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one
CID 54706810
2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 633879
3-benzyl-2,10-dimethylpyrimido[4,5-b]quinoline-4,5-dione
CID 7646754
2-benzyl-5-chloro-3-methylisoquinolin-1-one
CID 170901947
1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
CID 54726736
1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione
CID 53370489

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-10-methylphenanthridin-6-one?
The IUPAC name of 5-benzyl-10-methylphenanthridin-6-one (CID 71505961) is 5-benzyl-10-methylphenanthridin-6-one.
What is the SMILES notation for 5-benzyl-10-methylphenanthridin-6-one?
The canonical SMILES for 5-benzyl-10-methylphenanthridin-6-one is Cc1cccc2c(=O)n(Cc3ccccc3)c3ccccc3c12.
What is the InChIKey of 5-benzyl-10-methylphenanthridin-6-one?
The InChIKey is PNNDTKPCMCUDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-15-8-7-12-18-20(15)17-11-5-6-13-19(17)22(21(18)23)14-16-9-3-2-4-10-16/h2-13H,14H2,1H3.
What are the key properties of 5-benzyl-10-methylphenanthridin-6-one?
5-benzyl-10-methylphenanthridin-6-one has a molecular weight of 299.37 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-10-methylphenanthridin-6-one is sourced from PubChem (CID 71505961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).