3-methyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine

C16H17F3N2O2 — CID 21094356

IUPAC3-methyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine
SMILESCC1COc2c(ccc3nc(OC(C)C)cc(C(F)(F)F)c23)N1
InChIInChI=1S/C16H17F3N2O2/c1-8(2)23-13-6-10(16(17,18)19)14-11(21-13)4-5-12-15(14)22-7-9(3)20-12/h4-6,8-9,20H,7H2,1-3H3
InChIKeyUETZAAVYUOPRPJ-UHFFFAOYSA-N
MW326.32 g/mol
LogP4.23
Rot. Bonds2

About 3-methyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine

3-methyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine (PubChem CID 21094356) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 3-methyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine.

Molecular Properties

Compound Name3-methyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine
PubChem CID21094356
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name3-methyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine
SMILESCC1COc2c(ccc3nc(OC(C)C)cc(C(F)(F)F)c23)N1
InChIInChI=1S/C16H17F3N2O2/c1-8(2)23-13-6-10(16(17,18)19)14-11(21-13)4-5-12-15(14)22-7-9(3)20-12/h4-6,8-9,20H,7H2,1-3H3
InChIKeyUETZAAVYUOPRPJ-UHFFFAOYSA-N
XLogP4.23
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine with MolForge

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Related Compounds

7-fluoro-6-[[1-[2-(7-fluoro-2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one
CID 9934284
N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 10173263
5-(2-(4-(3-(cis-3,5-Dimethylpiperazin-1-yl)benzyl)piperidin-1-yl)ethoxy)-2-methylquinoline
CID 10174078
N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]propanamide
CID 10194809
2-methyl-5-[2-[4-[[3-[(3S)-3-methylpiperazin-1-yl]phenyl]methyl]piperidin-1-yl]ethoxy]quinoline
CID 10238565
2-methyl-5-[2-[4-[[3-[(3R)-3-methylpiperazin-1-yl]phenyl]methyl]piperidin-1-yl]ethoxy]quinoline
CID 10238566
5-[2-[4-[[3-[(2S,5R)-2,5-dimethylpiperazin-1-yl]phenyl]methyl]piperidin-1-yl]ethoxy]-2-methylquinoline
CID 44581260
8-fluoro-6-[[1-[2-(7-fluoro-2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one
CID 9804612
(2S,6R)-2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine
CID 10174088
5-fluoro-6-[[1-[2-(7-fluoro-2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one
CID 11178830
2-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]propanamide
CID 24865542
2-Methyl-5-[2-[4-[(3-piperidin-4-ylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline
CID 44581603

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine?
The IUPAC name of 3-methyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine (CID 21094356) is 3-methyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine.
What is the SMILES notation for 3-methyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine?
The canonical SMILES for 3-methyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine is CC1COc2c(ccc3nc(OC(C)C)cc(C(F)(F)F)c23)N1.
What is the InChIKey of 3-methyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine?
The InChIKey is UETZAAVYUOPRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c1-8(2)23-13-6-10(16(17,18)19)14-11(21-13)4-5-12-15(14)22-7-9(3)20-12/h4-6,8-9,20H,7H2,1-3H3.
What are the key properties of 3-methyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine?
3-methyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine has a molecular weight of 326.32 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine is sourced from PubChem (CID 21094356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).