2-methyl-1-propoxy-9-(trifluoromethyl)pyrido[3,2-g][1,4]benzoxazine

C16H15F3N2O2 — CID 141036477

IUPAC2-methyl-1-propoxy-9-(trifluoromethyl)pyrido[3,2-g][1,4]benzoxazine
SMILESCCCON1C(C)=COc2cc3nccc(C(F)(F)F)c3cc21
InChIInChI=1S/C16H15F3N2O2/c1-3-6-23-21-10(2)9-22-15-8-13-11(7-14(15)21)12(4-5-20-13)16(17,18)19/h4-5,7-9H,3,6H2,1-2H3
InChIKeyXOUOAFAPLNMPOE-UHFFFAOYSA-N
MW324.30 g/mol
LogP4.66
Rot. Bonds3

About 2-methyl-1-propoxy-9-(trifluoromethyl)pyrido[3,2-g][1,4]benzoxazine

2-methyl-1-propoxy-9-(trifluoromethyl)pyrido[3,2-g][1,4]benzoxazine (PubChem CID 141036477) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 2-methyl-1-propoxy-9-(trifluoromethyl)pyrido[3,2-g][1,4]benzoxazine.

Molecular Properties

Compound Name2-methyl-1-propoxy-9-(trifluoromethyl)pyrido[3,2-g][1,4]benzoxazine
PubChem CID141036477
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name2-methyl-1-propoxy-9-(trifluoromethyl)pyrido[3,2-g][1,4]benzoxazine
SMILESCCCON1C(C)=COc2cc3nccc(C(F)(F)F)c3cc21
InChIInChI=1S/C16H15F3N2O2/c1-3-6-23-21-10(2)9-22-15-8-13-11(7-14(15)21)12(4-5-20-13)16(17,18)19/h4-5,7-9H,3,6H2,1-2H3
InChIKeyXOUOAFAPLNMPOE-UHFFFAOYSA-N
XLogP4.66
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propoxy-9-(trifluoromethyl)pyrido[3,2-g][1,4]benzoxazine?
The IUPAC name of 2-methyl-1-propoxy-9-(trifluoromethyl)pyrido[3,2-g][1,4]benzoxazine (CID 141036477) is 2-methyl-1-propoxy-9-(trifluoromethyl)pyrido[3,2-g][1,4]benzoxazine.
What is the SMILES notation for 2-methyl-1-propoxy-9-(trifluoromethyl)pyrido[3,2-g][1,4]benzoxazine?
The canonical SMILES for 2-methyl-1-propoxy-9-(trifluoromethyl)pyrido[3,2-g][1,4]benzoxazine is CCCON1C(C)=COc2cc3nccc(C(F)(F)F)c3cc21.
What is the InChIKey of 2-methyl-1-propoxy-9-(trifluoromethyl)pyrido[3,2-g][1,4]benzoxazine?
The InChIKey is XOUOAFAPLNMPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-3-6-23-21-10(2)9-22-15-8-13-11(7-14(15)21)12(4-5-20-13)16(17,18)19/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 2-methyl-1-propoxy-9-(trifluoromethyl)pyrido[3,2-g][1,4]benzoxazine?
2-methyl-1-propoxy-9-(trifluoromethyl)pyrido[3,2-g][1,4]benzoxazine has a molecular weight of 324.30 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propoxy-9-(trifluoromethyl)pyrido[3,2-g][1,4]benzoxazine is sourced from PubChem (CID 141036477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).