2-(2,6-dimethylphenyl)-4-(4-fluorophenyl)pyrrolo[3,4-c]quinoline-1,3-dione

C25H17FN2O2 — CID 102230062

IUPAC2-(2,6-dimethylphenyl)-4-(4-fluorophenyl)pyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1cccc(C)c1N1C(=O)c2c(-c3ccc(F)cc3)nc3ccccc3c2C1=O
InChIInChI=1S/C25H17FN2O2/c1-14-6-5-7-15(2)23(14)28-24(29)20-18-8-3-4-9-19(18)27-22(21(20)25(28)30)16-10-12-17(26)13-11-16/h3-13H,1-2H3
InChIKeyZQKPZWHHXYMFHI-UHFFFAOYSA-N
MW396.42 g/mol
LogP5.46
Rot. Bonds2

About 2-(2,6-dimethylphenyl)-4-(4-fluorophenyl)pyrrolo[3,4-c]quinoline-1,3-dione

2-(2,6-dimethylphenyl)-4-(4-fluorophenyl)pyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 102230062) has the molecular formula C25H17FN2O2 and a molecular weight of 396.42 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-4-(4-fluorophenyl)pyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-4-(4-fluorophenyl)pyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID102230062
Molecular FormulaC25H17FN2O2
Molecular Weight396.42 g/mol
Exact Mass396.13
IUPAC Name2-(2,6-dimethylphenyl)-4-(4-fluorophenyl)pyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1cccc(C)c1N1C(=O)c2c(-c3ccc(F)cc3)nc3ccccc3c2C1=O
InChIInChI=1S/C25H17FN2O2/c1-14-6-5-7-15(2)23(14)28-24(29)20-18-8-3-4-9-19(18)27-22(21(20)25(28)30)16-10-12-17(26)13-11-16/h3-13H,1-2H3
InChIKeyZQKPZWHHXYMFHI-UHFFFAOYSA-N
XLogP5.46
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.42
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(4-fluorophenyl)-5-methylquinoxaline
CID 5052636
2-(4-fluorophenyl)-4-phenyl-3H-pyrrolo[3,4-c]quinolin-1-one
CID 102532244
8-methyl-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione
CID 71819080
2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid
CID 18073377
7-methyl-6-(4-methylphenyl)phenanthridine
CID 135007702
4-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylquinoline
CID 139651658
2-[3-(5-fluoro-2-methylphenyl)phenyl]-3H-quinazolin-4-one
CID 168552454
2-[(2-fluoro-6-methylanilino)methyl]-3H-quinazolin-4-one
CID 136952939
3-(3-diphenylphosphorylphenyl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
CID 134595923
4-(4-fluorophenyl)-N-methylquinazolin-2-amine
CID 156576968
3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one
CID 3389245
2-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-quinazolin-4-one
CID 135477419

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-4-(4-fluorophenyl)pyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 2-(2,6-dimethylphenyl)-4-(4-fluorophenyl)pyrrolo[3,4-c]quinoline-1,3-dione (CID 102230062) is 2-(2,6-dimethylphenyl)-4-(4-fluorophenyl)pyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-4-(4-fluorophenyl)pyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 2-(2,6-dimethylphenyl)-4-(4-fluorophenyl)pyrrolo[3,4-c]quinoline-1,3-dione is Cc1cccc(C)c1N1C(=O)c2c(-c3ccc(F)cc3)nc3ccccc3c2C1=O.
What is the InChIKey of 2-(2,6-dimethylphenyl)-4-(4-fluorophenyl)pyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is ZQKPZWHHXYMFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN2O2/c1-14-6-5-7-15(2)23(14)28-24(29)20-18-8-3-4-9-19(18)27-22(21(20)25(28)30)16-10-12-17(26)13-11-16/h3-13H,1-2H3.
What are the key properties of 2-(2,6-dimethylphenyl)-4-(4-fluorophenyl)pyrrolo[3,4-c]quinoline-1,3-dione?
2-(2,6-dimethylphenyl)-4-(4-fluorophenyl)pyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 396.42 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-4-(4-fluorophenyl)pyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 102230062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).