(7R)-2,5-dioxo-7-phenyl-1-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-6H-quinoline-3-carbonitrile

C23H15F3N2O3 — CID 92867620

IUPAC(7R)-2,5-dioxo-7-phenyl-1-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-6H-quinoline-3-carbonitrile
SMILESN#Cc1cc2c(n(-c3ccc(OC(F)(F)F)cc3)c1=O)C[C@@H](c1ccccc1)CC2=O
InChIInChI=1S/C23H15F3N2O3/c24-23(25,26)31-18-8-6-17(7-9-18)28-20-11-15(14-4-2-1-3-5-14)12-21(29)19(20)10-16(13-27)22(28)30/h1-10,15H,11-12H2/t15-/m1/s1
InChIKeyLOGLCFXVDMIWCT-OAHLLOKOSA-N
MW424.38 g/mol
LogP4.52
Rot. Bonds3

About (7R)-2,5-dioxo-7-phenyl-1-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-6H-quinoline-3-carbonitrile

(7R)-2,5-dioxo-7-phenyl-1-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-6H-quinoline-3-carbonitrile (PubChem CID 92867620) has the molecular formula C23H15F3N2O3 and a molecular weight of 424.38 g/mol. Its IUPAC name is (7R)-2,5-dioxo-7-phenyl-1-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-6H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name(7R)-2,5-dioxo-7-phenyl-1-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-6H-quinoline-3-carbonitrile
PubChem CID92867620
Molecular FormulaC23H15F3N2O3
Molecular Weight424.38 g/mol
Exact Mass424.10
IUPAC Name(7R)-2,5-dioxo-7-phenyl-1-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-6H-quinoline-3-carbonitrile
SMILESN#Cc1cc2c(n(-c3ccc(OC(F)(F)F)cc3)c1=O)C[C@@H](c1ccccc1)CC2=O
InChIInChI=1S/C23H15F3N2O3/c24-23(25,26)31-18-8-6-17(7-9-18)28-20-11-15(14-4-2-1-3-5-14)12-21(29)19(20)10-16(13-27)22(28)30/h1-10,15H,11-12H2/t15-/m1/s1
InChIKeyLOGLCFXVDMIWCT-OAHLLOKOSA-N
XLogP4.52
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-2,5-dioxo-7-phenyl-1-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-6H-quinoline-3-carbonitrile?
The IUPAC name of (7R)-2,5-dioxo-7-phenyl-1-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-6H-quinoline-3-carbonitrile (CID 92867620) is (7R)-2,5-dioxo-7-phenyl-1-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-6H-quinoline-3-carbonitrile.
What is the SMILES notation for (7R)-2,5-dioxo-7-phenyl-1-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-6H-quinoline-3-carbonitrile?
The canonical SMILES for (7R)-2,5-dioxo-7-phenyl-1-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-6H-quinoline-3-carbonitrile is N#Cc1cc2c(n(-c3ccc(OC(F)(F)F)cc3)c1=O)C[C@@H](c1ccccc1)CC2=O.
What is the InChIKey of (7R)-2,5-dioxo-7-phenyl-1-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-6H-quinoline-3-carbonitrile?
The InChIKey is LOGLCFXVDMIWCT-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H15F3N2O3/c24-23(25,26)31-18-8-6-17(7-9-18)28-20-11-15(14-4-2-1-3-5-14)12-21(29)19(20)10-16(13-27)22(28)30/h1-10,15H,11-12H2/t15-/m1/s1.
What are the key properties of (7R)-2,5-dioxo-7-phenyl-1-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-6H-quinoline-3-carbonitrile?
(7R)-2,5-dioxo-7-phenyl-1-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-6H-quinoline-3-carbonitrile has a molecular weight of 424.38 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2,5-dioxo-7-phenyl-1-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-6H-quinoline-3-carbonitrile is sourced from PubChem (CID 92867620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).