4-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[2,3-g][1,4]benzoxazin-7-one

C15H15F3N2O2 — CID 58722870

IUPAC4-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[2,3-g][1,4]benzoxazin-7-one
SMILESCC(C)N1CCOc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc21
InChIInChI=1S/C15H15F3N2O2/c1-8(2)20-3-4-22-13-5-9-10(15(16,17)18)6-14(21)19-11(9)7-12(13)20/h5-8H,3-4H2,1-2H3,(H,19,21)
InChIKeyAGZWTLJZNKPSHN-UHFFFAOYSA-N
MW312.29 g/mol
LogP3.15
Rot. Bonds1

About 4-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[2,3-g][1,4]benzoxazin-7-one

4-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[2,3-g][1,4]benzoxazin-7-one (PubChem CID 58722870) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 4-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[2,3-g][1,4]benzoxazin-7-one.

Molecular Properties

Compound Name4-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[2,3-g][1,4]benzoxazin-7-one
PubChem CID58722870
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name4-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[2,3-g][1,4]benzoxazin-7-one
SMILESCC(C)N1CCOc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc21
InChIInChI=1S/C15H15F3N2O2/c1-8(2)20-3-4-22-13-5-9-10(15(16,17)18)6-14(21)19-11(9)7-12(13)20/h5-8H,3-4H2,1-2H3,(H,19,21)
InChIKeyAGZWTLJZNKPSHN-UHFFFAOYSA-N
XLogP3.15
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[2,3-g][1,4]benzoxazin-7-one with MolForge

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Related Compounds

1-(2,2-dimethylpropyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one
CID 16658847
2-[6-methyl-2-oxo-4-(trifluoromethyl)-1H-quinolin-7-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 69367085
(2R)-2-iodo-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one
CID 142046868
7-bromo-6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22279024
6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 10199303
7-(methylamino)-6-(2-methylpropyl)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22279246
6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane
CID 142046924
6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one
CID 18008402
2-methylpropyl-oxo-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]amino]azanium
CID 22279218
6-[(2S,5S)-2,5-dipropylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 141035214
8-benzyl-6,9-dimethyl-4-propan-2-yl-2,3-dihydropyrido[2,3-g][1,4]benzoxazin-7-one
CID 58722906
6-[3-oxobutan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 122197407

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[2,3-g][1,4]benzoxazin-7-one?
The IUPAC name of 4-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[2,3-g][1,4]benzoxazin-7-one (CID 58722870) is 4-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[2,3-g][1,4]benzoxazin-7-one.
What is the SMILES notation for 4-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[2,3-g][1,4]benzoxazin-7-one?
The canonical SMILES for 4-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[2,3-g][1,4]benzoxazin-7-one is CC(C)N1CCOc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc21.
What is the InChIKey of 4-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[2,3-g][1,4]benzoxazin-7-one?
The InChIKey is AGZWTLJZNKPSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-8(2)20-3-4-22-13-5-9-10(15(16,17)18)6-14(21)19-11(9)7-12(13)20/h5-8H,3-4H2,1-2H3,(H,19,21).
What are the key properties of 4-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[2,3-g][1,4]benzoxazin-7-one?
4-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[2,3-g][1,4]benzoxazin-7-one has a molecular weight of 312.29 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[2,3-g][1,4]benzoxazin-7-one is sourced from PubChem (CID 58722870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).