1-methyl-5-quinolin-8-ylphenanthridin-6-one

C23H16N2O — CID 164682820

IUPAC1-methyl-5-quinolin-8-ylphenanthridin-6-one
SMILESCc1cccc2c1c1ccccc1c(=O)n2-c1cccc2cccnc12
InChIInChI=1S/C23H16N2O/c1-15-7-4-12-19-21(15)17-10-2-3-11-18(17)23(26)25(19)20-13-5-8-16-9-6-14-24-22(16)20/h2-14H,1H3
InChIKeyWUNPRNVCIKTVGS-UHFFFAOYSA-N
MW336.39 g/mol
LogP5.00
Rot. Bonds1

About 1-methyl-5-quinolin-8-ylphenanthridin-6-one

1-methyl-5-quinolin-8-ylphenanthridin-6-one (PubChem CID 164682820) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-methyl-5-quinolin-8-ylphenanthridin-6-one.

Molecular Properties

Compound Name1-methyl-5-quinolin-8-ylphenanthridin-6-one
PubChem CID164682820
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name1-methyl-5-quinolin-8-ylphenanthridin-6-one
SMILESCc1cccc2c1c1ccccc1c(=O)n2-c1cccc2cccnc12
InChIInChI=1S/C23H16N2O/c1-15-7-4-12-19-21(15)17-10-2-3-11-18(17)23(26)25(19)20-13-5-8-16-9-6-14-24-22(16)20/h2-14H,1H3
InChIKeyWUNPRNVCIKTVGS-UHFFFAOYSA-N
XLogP5.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 55.00
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

9-iodo-5-quinolin-8-ylphenanthridin-6-one
CID 158402058
11,12-di(quinolin-8-yl)indolo[2,3-a]carbazole
CID 58184810
9-[4-(1-quinolin-8-ylbenzimidazol-2-yl)phenyl]carbazole
CID 21356976
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole
CID 164797310
10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
CID 118003229
3,4-dimethyl-5-methylidene-1-quinolin-8-ylpyrrol-2-one
CID 141397224
6-fluoro-3-quinolin-8-yl-1H-benzimidazol-2-one
CID 110491246
11-phenyl-5-quinolin-8-ylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310218
5-methyl-2-quinolin-8-yl-1,2-benzoselenazol-3-one
CID 122204061
6-[3,5-di(carbazol-9-yl)phenyl]-2-(1,10-phenanthrolin-5-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 140828596
4,5-dimethylphenanthro[9,10-b]pyridine
CID 140895992
CID 69460277
CID 69460277

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-quinolin-8-ylphenanthridin-6-one?
The IUPAC name of 1-methyl-5-quinolin-8-ylphenanthridin-6-one (CID 164682820) is 1-methyl-5-quinolin-8-ylphenanthridin-6-one.
What is the SMILES notation for 1-methyl-5-quinolin-8-ylphenanthridin-6-one?
The canonical SMILES for 1-methyl-5-quinolin-8-ylphenanthridin-6-one is Cc1cccc2c1c1ccccc1c(=O)n2-c1cccc2cccnc12.
What is the InChIKey of 1-methyl-5-quinolin-8-ylphenanthridin-6-one?
The InChIKey is WUNPRNVCIKTVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c1-15-7-4-12-19-21(15)17-10-2-3-11-18(17)23(26)25(19)20-13-5-8-16-9-6-14-24-22(16)20/h2-14H,1H3.
What are the key properties of 1-methyl-5-quinolin-8-ylphenanthridin-6-one?
1-methyl-5-quinolin-8-ylphenanthridin-6-one has a molecular weight of 336.39 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-quinolin-8-ylphenanthridin-6-one is sourced from PubChem (CID 164682820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).