5-methyl-6-phenylcinnolino[2,1-b]phthalazine-8,13-dione

C23H16N2O2 — CID 132991044

IUPAC5-methyl-6-phenylcinnolino[2,1-b]phthalazine-8,13-dione
SMILESCc1c(-c2ccccc2)n2c(=O)c3ccccc3c(=O)n2c2ccccc12
InChIInChI=1S/C23H16N2O2/c1-15-17-11-7-8-14-20(17)24-22(26)18-12-5-6-13-19(18)23(27)25(24)21(15)16-9-3-2-4-10-16/h2-14H,1H3
InChIKeyMRBAAYABGPHMKO-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.04
Rot. Bonds1

About 5-methyl-6-phenylcinnolino[2,1-b]phthalazine-8,13-dione

5-methyl-6-phenylcinnolino[2,1-b]phthalazine-8,13-dione (PubChem CID 132991044) has the molecular formula C23H16N2O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-methyl-6-phenylcinnolino[2,1-b]phthalazine-8,13-dione.

Molecular Properties

Compound Name5-methyl-6-phenylcinnolino[2,1-b]phthalazine-8,13-dione
PubChem CID132991044
Molecular FormulaC23H16N2O2
Molecular Weight352.39 g/mol
Exact Mass352.12
IUPAC Name5-methyl-6-phenylcinnolino[2,1-b]phthalazine-8,13-dione
SMILESCc1c(-c2ccccc2)n2c(=O)c3ccccc3c(=O)n2c2ccccc12
InChIInChI=1S/C23H16N2O2/c1-15-17-11-7-8-14-20(17)24-22(26)18-12-5-6-13-19(18)23(27)25(24)21(15)16-9-3-2-4-10-16/h2-14H,1H3
InChIKeyMRBAAYABGPHMKO-UHFFFAOYSA-N
XLogP4.04
TPSA42.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5,6-diphenylcinnolino[2,1-b]phthalazine-8,13-dione
CID 132991804
1-(4-fluorophenyl)-3-methyl-2-phenylindole
CID 11551202
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
1-methyl-3-methylsulfonyl-2-phenylindole
CID 102275352
2,3-dimethyl-4-phenylisoquinolin-1-one;ethane
CID 142130095
3-chloro-1,4-dimethylquinolin-2-one
CID 15643026
2-methyl-1,3-diphenylisoindole
CID 3710956
1-methyl-2,3-diphenylindole
CID 11426096
11-methyl-6,7,8,9-tetrahydroazepino[1,2-a]indol-10-one
CID 24977612
3-chloro-4-(1,3-dimethylindol-2-yl)cyclobut-3-ene-1,2-dione
CID 10730019
2-methyl-1-phenyl-[1,3]thiazolo[3,2-a]quinazolin-5-one
CID 12072605
5,6-dimethyl-1-phenylpyrazolo[1,2-a]pyrazole-3,7-dione
CID 15945911

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-phenylcinnolino[2,1-b]phthalazine-8,13-dione?
The IUPAC name of 5-methyl-6-phenylcinnolino[2,1-b]phthalazine-8,13-dione (CID 132991044) is 5-methyl-6-phenylcinnolino[2,1-b]phthalazine-8,13-dione.
What is the SMILES notation for 5-methyl-6-phenylcinnolino[2,1-b]phthalazine-8,13-dione?
The canonical SMILES for 5-methyl-6-phenylcinnolino[2,1-b]phthalazine-8,13-dione is Cc1c(-c2ccccc2)n2c(=O)c3ccccc3c(=O)n2c2ccccc12.
What is the InChIKey of 5-methyl-6-phenylcinnolino[2,1-b]phthalazine-8,13-dione?
The InChIKey is MRBAAYABGPHMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2/c1-15-17-11-7-8-14-20(17)24-22(26)18-12-5-6-13-19(18)23(27)25(24)21(15)16-9-3-2-4-10-16/h2-14H,1H3.
What are the key properties of 5-methyl-6-phenylcinnolino[2,1-b]phthalazine-8,13-dione?
5-methyl-6-phenylcinnolino[2,1-b]phthalazine-8,13-dione has a molecular weight of 352.39 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-phenylcinnolino[2,1-b]phthalazine-8,13-dione is sourced from PubChem (CID 132991044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).