(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)methyl-trifluoroboranuide

C10H10BF3NO2- — CID 81105122

IUPAC(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)methyl-trifluoroboranuide
SMILESO=C1CCCc2c1ccc(=O)n2C[B-](F)(F)F
InChIInChI=1S/C10H10BF3NO2/c12-11(13,14)6-15-8-2-1-3-9(16)7(8)4-5-10(15)17/h4-5H,1-3,6H2/q-1
InChIKeyVIACPXOSVHNJBY-UHFFFAOYSA-N
MW244.00 g/mol
LogP1.75
Rot. Bonds2

About (2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)methyl-trifluoroboranuide

(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)methyl-trifluoroboranuide (PubChem CID 81105122) has the molecular formula C10H10BF3NO2- and a molecular weight of 244.00 g/mol. Its IUPAC name is (2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)methyl-trifluoroboranuide.

Molecular Properties

Compound Name(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)methyl-trifluoroboranuide
PubChem CID81105122
Molecular FormulaC10H10BF3NO2-
Molecular Weight244.00 g/mol
Exact Mass244.08
IUPAC Name(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)methyl-trifluoroboranuide
SMILESO=C1CCCc2c1ccc(=O)n2C[B-](F)(F)F
InChIInChI=1S/C10H10BF3NO2/c12-11(13,14)6-15-8-2-1-3-9(16)7(8)4-5-10(15)17/h4-5H,1-3,6H2/q-1
InChIKeyVIACPXOSVHNJBY-UHFFFAOYSA-N
XLogP1.75
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.00
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)methyl-trifluoroboranuide with MolForge

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Related Compounds

N-ethyl-5-oxo-5,6,7,8-tetrahydrocarbostyril
CID 12229996
1-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 3647550
1-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 156504687
1-Isopropyl-7,8-dihydroquinoline-2,5(1H,6H)-dione
CID 10104400
1-(2,2-difluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81104270
1-(2,2,2-trifluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81104411
1-(3,3,3-trifluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81104970
1-(3-fluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81106487
1-(2-fluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109165
(7S)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 97036574
(7R)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 97036575
(7S)-7-(difluoromethyl)-1-methyl-7,8-dihydro-6H-quinoline-2,5-dione
CID 99986301

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)methyl-trifluoroboranuide?
The IUPAC name of (2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)methyl-trifluoroboranuide (CID 81105122) is (2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)methyl-trifluoroboranuide.
What is the SMILES notation for (2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)methyl-trifluoroboranuide?
The canonical SMILES for (2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)methyl-trifluoroboranuide is O=C1CCCc2c1ccc(=O)n2C[B-](F)(F)F.
What is the InChIKey of (2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)methyl-trifluoroboranuide?
The InChIKey is VIACPXOSVHNJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BF3NO2/c12-11(13,14)6-15-8-2-1-3-9(16)7(8)4-5-10(15)17/h4-5H,1-3,6H2/q-1.
What are the key properties of (2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)methyl-trifluoroboranuide?
(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)methyl-trifluoroboranuide has a molecular weight of 244.00 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)methyl-trifluoroboranuide is sourced from PubChem (CID 81105122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).