5-methyl-3-(trifluoromethyl)indeno[2,1-b]quinoline-6,11-dione

C18H10F3NO2 — CID 122194426

IUPAC5-methyl-3-(trifluoromethyl)indeno[2,1-b]quinoline-6,11-dione
SMILESCn1c2c(c(=O)c3ccc(C(F)(F)F)cc31)-c1ccccc1C2=O
InChIInChI=1S/C18H10F3NO2/c1-22-13-8-9(18(19,20)21)6-7-12(13)16(23)14-10-4-2-3-5-11(10)17(24)15(14)22/h2-8H,1H3
InChIKeyVUNORLWCPMVUBI-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.77
Rot. Bonds

About 5-methyl-3-(trifluoromethyl)indeno[2,1-b]quinoline-6,11-dione

5-methyl-3-(trifluoromethyl)indeno[2,1-b]quinoline-6,11-dione (PubChem CID 122194426) has the molecular formula C18H10F3NO2 and a molecular weight of 329.28 g/mol. Its IUPAC name is 5-methyl-3-(trifluoromethyl)indeno[2,1-b]quinoline-6,11-dione.

Molecular Properties

Compound Name5-methyl-3-(trifluoromethyl)indeno[2,1-b]quinoline-6,11-dione
PubChem CID122194426
Molecular FormulaC18H10F3NO2
Molecular Weight329.28 g/mol
Exact Mass329.07
IUPAC Name5-methyl-3-(trifluoromethyl)indeno[2,1-b]quinoline-6,11-dione
SMILESCn1c2c(c(=O)c3ccc(C(F)(F)F)cc31)-c1ccccc1C2=O
InChIInChI=1S/C18H10F3NO2/c1-22-13-8-9(18(19,20)21)6-7-12(13)16(23)14-10-4-2-3-5-11(10)17(24)15(14)22/h2-8H,1H3
InChIKeyVUNORLWCPMVUBI-UHFFFAOYSA-N
XLogP3.77
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(trifluoromethyl)indeno[2,1-b]quinoline-6,11-dione?
The IUPAC name of 5-methyl-3-(trifluoromethyl)indeno[2,1-b]quinoline-6,11-dione (CID 122194426) is 5-methyl-3-(trifluoromethyl)indeno[2,1-b]quinoline-6,11-dione.
What is the SMILES notation for 5-methyl-3-(trifluoromethyl)indeno[2,1-b]quinoline-6,11-dione?
The canonical SMILES for 5-methyl-3-(trifluoromethyl)indeno[2,1-b]quinoline-6,11-dione is Cn1c2c(c(=O)c3ccc(C(F)(F)F)cc31)-c1ccccc1C2=O.
What is the InChIKey of 5-methyl-3-(trifluoromethyl)indeno[2,1-b]quinoline-6,11-dione?
The InChIKey is VUNORLWCPMVUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3NO2/c1-22-13-8-9(18(19,20)21)6-7-12(13)16(23)14-10-4-2-3-5-11(10)17(24)15(14)22/h2-8H,1H3.
What are the key properties of 5-methyl-3-(trifluoromethyl)indeno[2,1-b]quinoline-6,11-dione?
5-methyl-3-(trifluoromethyl)indeno[2,1-b]quinoline-6,11-dione has a molecular weight of 329.28 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(trifluoromethyl)indeno[2,1-b]quinoline-6,11-dione is sourced from PubChem (CID 122194426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).