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

C17H19F3N2O2 — CID 21094363

IUPAC3-ethyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine
SMILESCCC1COc2c(ccc3nc(OC(C)C)cc(C(F)(F)F)c23)N1
InChIInChI=1S/C17H19F3N2O2/c1-4-10-8-23-16-13(21-10)6-5-12-15(16)11(17(18,19)20)7-14(22-12)24-9(2)3/h5-7,9-10,21H,4,8H2,1-3H3
InChIKeyMHFUANNQCKVVJO-UHFFFAOYSA-N
MW340.35 g/mol
LogP4.62
Rot. Bonds3

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

3-ethyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine (PubChem CID 21094363) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 3-ethyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine.

Molecular Properties

Compound Name3-ethyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine
PubChem CID21094363
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name3-ethyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine
SMILESCCC1COc2c(ccc3nc(OC(C)C)cc(C(F)(F)F)c23)N1
InChIInChI=1S/C17H19F3N2O2/c1-4-10-8-23-16-13(21-10)6-5-12-15(16)11(17(18,19)20)7-14(22-12)24-9(2)3/h5-7,9-10,21H,4,8H2,1-3H3
InChIKeyMHFUANNQCKVVJO-UHFFFAOYSA-N
XLogP4.62
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine?
The IUPAC name of 3-ethyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine (CID 21094363) is 3-ethyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine.
What is the SMILES notation for 3-ethyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine?
The canonical SMILES for 3-ethyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine is CCC1COc2c(ccc3nc(OC(C)C)cc(C(F)(F)F)c23)N1.
What is the InChIKey of 3-ethyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine?
The InChIKey is MHFUANNQCKVVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-4-10-8-23-16-13(21-10)6-5-12-15(16)11(17(18,19)20)7-14(22-12)24-9(2)3/h5-7,9-10,21H,4,8H2,1-3H3.
What are the key properties of 3-ethyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine?
3-ethyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine has a molecular weight of 340.35 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-propan-2-yloxy-10-(trifluoromethyl)-3,4-dihydro-2H-pyrido[2,3-h][1,4]benzoxazine is sourced from PubChem (CID 21094363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).