5-benzyl-9-methoxy-2,4-dimethylphenanthridin-6-one

C23H21NO2 — CID 134974772

IUPAC5-benzyl-9-methoxy-2,4-dimethylphenanthridin-6-one
SMILESCOc1ccc2c(=O)n(Cc3ccccc3)c3c(C)cc(C)cc3c2c1
InChIInChI=1S/C23H21NO2/c1-15-11-16(2)22-21(12-15)20-13-18(26-3)9-10-19(20)23(25)24(22)14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3
InChIKeyCDSZXVNIIXSYHX-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.83
Rot. Bonds3

About 5-benzyl-9-methoxy-2,4-dimethylphenanthridin-6-one

5-benzyl-9-methoxy-2,4-dimethylphenanthridin-6-one (PubChem CID 134974772) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-benzyl-9-methoxy-2,4-dimethylphenanthridin-6-one.

Molecular Properties

Compound Name5-benzyl-9-methoxy-2,4-dimethylphenanthridin-6-one
PubChem CID134974772
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name5-benzyl-9-methoxy-2,4-dimethylphenanthridin-6-one
SMILESCOc1ccc2c(=O)n(Cc3ccccc3)c3c(C)cc(C)cc3c2c1
InChIInChI=1S/C23H21NO2/c1-15-11-16(2)22-21(12-15)20-13-18(26-3)9-10-19(20)23(25)24(22)14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3
InChIKeyCDSZXVNIIXSYHX-UHFFFAOYSA-N
XLogP4.83
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
3-benzyl-6-methoxy-1,3-benzoxazine-2,4-dione
CID 131857932
9-benzyl-6-methoxy-3-methylpyrimido[4,5-b]indol-4-one
CID 23857129
10-benzyl-3-methoxyacridin-9-one
CID 12751573
9-benzyl-6-methoxy-1,4-dimethylcarbazole-3-carbaldehyde
CID 122225837
4-bromo-3-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-6-methylisoquinolin-1-one
CID 44574597
8-bromo-3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
CID 176864839
3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one
CID 12751575
3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
CID 22449593
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 633879
9-benzyl-7-methoxypyrido[3,4-b]indole
CID 68940620

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-9-methoxy-2,4-dimethylphenanthridin-6-one?
The IUPAC name of 5-benzyl-9-methoxy-2,4-dimethylphenanthridin-6-one (CID 134974772) is 5-benzyl-9-methoxy-2,4-dimethylphenanthridin-6-one.
What is the SMILES notation for 5-benzyl-9-methoxy-2,4-dimethylphenanthridin-6-one?
The canonical SMILES for 5-benzyl-9-methoxy-2,4-dimethylphenanthridin-6-one is COc1ccc2c(=O)n(Cc3ccccc3)c3c(C)cc(C)cc3c2c1.
What is the InChIKey of 5-benzyl-9-methoxy-2,4-dimethylphenanthridin-6-one?
The InChIKey is CDSZXVNIIXSYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-15-11-16(2)22-21(12-15)20-13-18(26-3)9-10-19(20)23(25)24(22)14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3.
What are the key properties of 5-benzyl-9-methoxy-2,4-dimethylphenanthridin-6-one?
5-benzyl-9-methoxy-2,4-dimethylphenanthridin-6-one has a molecular weight of 343.43 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-9-methoxy-2,4-dimethylphenanthridin-6-one is sourced from PubChem (CID 134974772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).