6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione

C20H14F3NO3 — CID 4907766

IUPAC6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
SMILESCn1c(=O)c2c(c3ccccc31)OC(=O)CC2c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H14F3NO3/c1-24-15-5-3-2-4-13(15)18-17(19(24)26)14(10-16(25)27-18)11-6-8-12(9-7-11)20(21,22)23/h2-9,14H,10H2,1H3
InChIKeyXTMKCKZQZBOZIS-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.00
Rot. Bonds1

About 6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione

6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione (PubChem CID 4907766) has the molecular formula C20H14F3NO3 and a molecular weight of 373.33 g/mol. Its IUPAC name is 6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
PubChem CID4907766
Molecular FormulaC20H14F3NO3
Molecular Weight373.33 g/mol
Exact Mass373.09
IUPAC Name6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
SMILESCn1c(=O)c2c(c3ccccc31)OC(=O)CC2c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H14F3NO3/c1-24-15-5-3-2-4-13(15)18-17(19(24)26)14(10-16(25)27-18)11-6-8-12(9-7-11)20(21,22)23/h2-9,14H,10H2,1H3
InChIKeyXTMKCKZQZBOZIS-UHFFFAOYSA-N
XLogP4.00
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione (CID 4907766) is 6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione is Cn1c(=O)c2c(c3ccccc31)OC(=O)CC2c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is XTMKCKZQZBOZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO3/c1-24-15-5-3-2-4-13(15)18-17(19(24)26)14(10-16(25)27-18)11-6-8-12(9-7-11)20(21,22)23/h2-9,14H,10H2,1H3.
What are the key properties of 6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 373.33 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 4907766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).