2-(4-fluorophenyl)-4-phenyl-3H-pyrrolo[3,4-c]quinolin-1-one

C23H15FN2O — CID 102532244

IUPAC2-(4-fluorophenyl)-4-phenyl-3H-pyrrolo[3,4-c]quinolin-1-one
SMILESO=C1c2c(c(-c3ccccc3)nc3ccccc23)CN1c1ccc(F)cc1
InChIInChI=1S/C23H15FN2O/c24-16-10-12-17(13-11-16)26-14-19-21(23(26)27)18-8-4-5-9-20(18)25-22(19)15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyKOVACXIPQKRBIN-UHFFFAOYSA-N
MW354.38 g/mol
LogP5.20
Rot. Bonds2

About 2-(4-fluorophenyl)-4-phenyl-3H-pyrrolo[3,4-c]quinolin-1-one

2-(4-fluorophenyl)-4-phenyl-3H-pyrrolo[3,4-c]quinolin-1-one (PubChem CID 102532244) has the molecular formula C23H15FN2O and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-phenyl-3H-pyrrolo[3,4-c]quinolin-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-phenyl-3H-pyrrolo[3,4-c]quinolin-1-one
PubChem CID102532244
Molecular FormulaC23H15FN2O
Molecular Weight354.38 g/mol
Exact Mass354.12
IUPAC Name2-(4-fluorophenyl)-4-phenyl-3H-pyrrolo[3,4-c]quinolin-1-one
SMILESO=C1c2c(c(-c3ccccc3)nc3ccccc23)CN1c1ccc(F)cc1
InChIInChI=1S/C23H15FN2O/c24-16-10-12-17(13-11-16)26-14-19-21(23(26)27)18-8-4-5-9-20(18)25-22(19)15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyKOVACXIPQKRBIN-UHFFFAOYSA-N
XLogP5.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.38
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diphenyl-3H-pyrrolo[3,4-c]quinolin-1-one
CID 102532246
2-(2,6-dimethylphenyl)-4-(4-fluorophenyl)pyrrolo[3,4-c]quinoline-1,3-dione
CID 102230062
2-[(4-fluorophenyl)methyl]-9-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 15669484
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline
CID 141288937
9-methyl-2-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 72710503
5,11-diphenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione
CID 14867542
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-fluorophenyl)benzo[k]phenanthridine
CID 138605623
2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one
CID 2652423
3-chloro-2,4-diphenylquinoline
CID 10781654
4-phenyl-4,10-diazatricyclo[5.2.1.02,6]deca-1,6,8-trien-3-one
CID 154447499
(4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 46093007
(4E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
CID 39885559

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-phenyl-3H-pyrrolo[3,4-c]quinolin-1-one?
The IUPAC name of 2-(4-fluorophenyl)-4-phenyl-3H-pyrrolo[3,4-c]quinolin-1-one (CID 102532244) is 2-(4-fluorophenyl)-4-phenyl-3H-pyrrolo[3,4-c]quinolin-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-phenyl-3H-pyrrolo[3,4-c]quinolin-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-phenyl-3H-pyrrolo[3,4-c]quinolin-1-one is O=C1c2c(c(-c3ccccc3)nc3ccccc23)CN1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-phenyl-3H-pyrrolo[3,4-c]quinolin-1-one?
The InChIKey is KOVACXIPQKRBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN2O/c24-16-10-12-17(13-11-16)26-14-19-21(23(26)27)18-8-4-5-9-20(18)25-22(19)15-6-2-1-3-7-15/h1-13H,14H2.
What are the key properties of 2-(4-fluorophenyl)-4-phenyl-3H-pyrrolo[3,4-c]quinolin-1-one?
2-(4-fluorophenyl)-4-phenyl-3H-pyrrolo[3,4-c]quinolin-1-one has a molecular weight of 354.38 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-phenyl-3H-pyrrolo[3,4-c]quinolin-1-one is sourced from PubChem (CID 102532244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).