5-benzyl-8-chlorophenanthridin-6-one

C20H14ClNO — CID 71506154

IUPAC5-benzyl-8-chlorophenanthridin-6-one
SMILESO=c1c2cc(Cl)ccc2c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C20H14ClNO/c21-15-10-11-16-17-8-4-5-9-19(17)22(20(23)18(16)12-15)13-14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyCDWNJZBDEWPMIB-UHFFFAOYSA-N
MW319.79 g/mol
LogP4.86
Rot. Bonds2

About 5-benzyl-8-chlorophenanthridin-6-one

5-benzyl-8-chlorophenanthridin-6-one (PubChem CID 71506154) has the molecular formula C20H14ClNO and a molecular weight of 319.79 g/mol. Its IUPAC name is 5-benzyl-8-chlorophenanthridin-6-one.

Molecular Properties

Compound Name5-benzyl-8-chlorophenanthridin-6-one
PubChem CID71506154
Molecular FormulaC20H14ClNO
Molecular Weight319.79 g/mol
Exact Mass319.08
IUPAC Name5-benzyl-8-chlorophenanthridin-6-one
SMILESO=c1c2cc(Cl)ccc2c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C20H14ClNO/c21-15-10-11-16-17-8-4-5-9-19(17)22(20(23)18(16)12-15)13-14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyCDWNJZBDEWPMIB-UHFFFAOYSA-N
XLogP4.86
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 54.86
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-chloro-9-fluorophenanthridin-6-one
CID 134974780
2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 633879
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
9-[(4-chlorophenyl)methyl]carbazole
CID 15206746
5-benzyl-2,9-dimethylphenanthridin-6-one
CID 86257513
5-benzyl-10-methylphenanthridin-6-one
CID 71505961
10-benzyl-2-chloro-7-methylacridin-9-one
CID 139792411
1,3-dibenzyl-5-chlorobenzimidazol-2-one
CID 139081600
1-benzyl-4-(3-chlorophenyl)quinolin-2-one
CID 166442707
5-(benzo[a]anthracen-3-ylmethyl)phenanthridin-6-one
CID 158793654
9-benzyl-2-bromocarbazole
CID 123133636
5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione
CID 101168915

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-8-chlorophenanthridin-6-one?
The IUPAC name of 5-benzyl-8-chlorophenanthridin-6-one (CID 71506154) is 5-benzyl-8-chlorophenanthridin-6-one.
What is the SMILES notation for 5-benzyl-8-chlorophenanthridin-6-one?
The canonical SMILES for 5-benzyl-8-chlorophenanthridin-6-one is O=c1c2cc(Cl)ccc2c2ccccc2n1Cc1ccccc1.
What is the InChIKey of 5-benzyl-8-chlorophenanthridin-6-one?
The InChIKey is CDWNJZBDEWPMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO/c21-15-10-11-16-17-8-4-5-9-19(17)22(20(23)18(16)12-15)13-14-6-2-1-3-7-14/h1-12H,13H2.
What are the key properties of 5-benzyl-8-chlorophenanthridin-6-one?
5-benzyl-8-chlorophenanthridin-6-one has a molecular weight of 319.79 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-8-chlorophenanthridin-6-one is sourced from PubChem (CID 71506154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).