3-methyl-2-phenyl-7-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-9-one

C19H13F3N2O — CID 713981

IUPAC3-methyl-2-phenyl-7-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-9-one
SMILESCn1c(-c2ccccc2)cc2c3c(=O)cc(C(F)(F)F)[nH]c3ccc21
InChIInChI=1S/C19H13F3N2O/c1-24-14-8-7-13-18(16(25)10-17(23-13)19(20,21)22)12(14)9-15(24)11-5-3-2-4-6-11/h2-10H,1H3,(H,23,25)
InChIKeyBEGDHWULXQHTDE-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.71
Rot. Bonds1

About 3-methyl-2-phenyl-7-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-9-one

3-methyl-2-phenyl-7-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-9-one (PubChem CID 713981) has the molecular formula C19H13F3N2O and a molecular weight of 342.32 g/mol. Its IUPAC name is 3-methyl-2-phenyl-7-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-9-one.

Molecular Properties

Compound Name3-methyl-2-phenyl-7-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-9-one
PubChem CID713981
Molecular FormulaC19H13F3N2O
Molecular Weight342.32 g/mol
Exact Mass342.10
IUPAC Name3-methyl-2-phenyl-7-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-9-one
SMILESCn1c(-c2ccccc2)cc2c3c(=O)cc(C(F)(F)F)[nH]c3ccc21
InChIInChI=1S/C19H13F3N2O/c1-24-14-8-7-13-18(16(25)10-17(23-13)19(20,21)22)12(14)9-15(24)11-5-3-2-4-6-11/h2-10H,1H3,(H,23,25)
InChIKeyBEGDHWULXQHTDE-UHFFFAOYSA-N
XLogP4.71
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-7-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-9-one?
The IUPAC name of 3-methyl-2-phenyl-7-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-9-one (CID 713981) is 3-methyl-2-phenyl-7-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-9-one.
What is the SMILES notation for 3-methyl-2-phenyl-7-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-9-one?
The canonical SMILES for 3-methyl-2-phenyl-7-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-9-one is Cn1c(-c2ccccc2)cc2c3c(=O)cc(C(F)(F)F)[nH]c3ccc21.
What is the InChIKey of 3-methyl-2-phenyl-7-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-9-one?
The InChIKey is BEGDHWULXQHTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O/c1-24-14-8-7-13-18(16(25)10-17(23-13)19(20,21)22)12(14)9-15(24)11-5-3-2-4-6-11/h2-10H,1H3,(H,23,25).
What are the key properties of 3-methyl-2-phenyl-7-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-9-one?
3-methyl-2-phenyl-7-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-9-one has a molecular weight of 342.32 g/mol, XLogP of 4.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-7-(trifluoromethyl)-6H-pyrrolo[3,2-f]quinolin-9-one is sourced from PubChem (CID 713981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).