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

C19H13F3N2O — CID 7304944

IUPAC5-methyl-2-phenyl-7-(trifluoromethyl)-3,6-dihydropyrrolo[3,2-f]quinolin-9-one
SMILESCc1cc2[nH]c(-c3ccccc3)cc2c2c(=O)cc(C(F)(F)F)[nH]c12
InChIInChI=1S/C19H13F3N2O/c1-10-7-14-12(8-13(23-14)11-5-3-2-4-6-11)17-15(25)9-16(19(20,21)22)24-18(10)17/h2-9,23H,1H3,(H,24,25)
InChIKeyIOVJIKKUWUUXKL-UHFFFAOYSA-N
MW342.32 g/mol
LogP5.00
Rot. Bonds1

About 5-methyl-2-phenyl-7-(trifluoromethyl)-3,6-dihydropyrrolo[3,2-f]quinolin-9-one

5-methyl-2-phenyl-7-(trifluoromethyl)-3,6-dihydropyrrolo[3,2-f]quinolin-9-one (PubChem CID 7304944) has the molecular formula C19H13F3N2O and a molecular weight of 342.32 g/mol. Its IUPAC name is 5-methyl-2-phenyl-7-(trifluoromethyl)-3,6-dihydropyrrolo[3,2-f]quinolin-9-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-7-(trifluoromethyl)-3,6-dihydropyrrolo[3,2-f]quinolin-9-one
PubChem CID7304944
Molecular FormulaC19H13F3N2O
Molecular Weight342.32 g/mol
Exact Mass342.10
IUPAC Name5-methyl-2-phenyl-7-(trifluoromethyl)-3,6-dihydropyrrolo[3,2-f]quinolin-9-one
SMILESCc1cc2[nH]c(-c3ccccc3)cc2c2c(=O)cc(C(F)(F)F)[nH]c12
InChIInChI=1S/C19H13F3N2O/c1-10-7-14-12(8-13(23-14)11-5-3-2-4-6-11)17-15(25)9-16(19(20,21)22)24-18(10)17/h2-9,23H,1H3,(H,24,25)
InChIKeyIOVJIKKUWUUXKL-UHFFFAOYSA-N
XLogP5.00
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.32
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-7-(trifluoromethyl)-3,6-dihydropyrrolo[3,2-f]quinolin-9-one?
The IUPAC name of 5-methyl-2-phenyl-7-(trifluoromethyl)-3,6-dihydropyrrolo[3,2-f]quinolin-9-one (CID 7304944) is 5-methyl-2-phenyl-7-(trifluoromethyl)-3,6-dihydropyrrolo[3,2-f]quinolin-9-one.
What is the SMILES notation for 5-methyl-2-phenyl-7-(trifluoromethyl)-3,6-dihydropyrrolo[3,2-f]quinolin-9-one?
The canonical SMILES for 5-methyl-2-phenyl-7-(trifluoromethyl)-3,6-dihydropyrrolo[3,2-f]quinolin-9-one is Cc1cc2[nH]c(-c3ccccc3)cc2c2c(=O)cc(C(F)(F)F)[nH]c12.
What is the InChIKey of 5-methyl-2-phenyl-7-(trifluoromethyl)-3,6-dihydropyrrolo[3,2-f]quinolin-9-one?
The InChIKey is IOVJIKKUWUUXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O/c1-10-7-14-12(8-13(23-14)11-5-3-2-4-6-11)17-15(25)9-16(19(20,21)22)24-18(10)17/h2-9,23H,1H3,(H,24,25).
What are the key properties of 5-methyl-2-phenyl-7-(trifluoromethyl)-3,6-dihydropyrrolo[3,2-f]quinolin-9-one?
5-methyl-2-phenyl-7-(trifluoromethyl)-3,6-dihydropyrrolo[3,2-f]quinolin-9-one has a molecular weight of 342.32 g/mol, XLogP of 5.00, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-7-(trifluoromethyl)-3,6-dihydropyrrolo[3,2-f]quinolin-9-one is sourced from PubChem (CID 7304944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).