4-methoxy-2-methyl-8-(trifluoromethyl)quinazolin-3-ium

C11H10F3N2O+ — CID 20674231

IUPAC4-methoxy-2-methyl-8-(trifluoromethyl)quinazolin-3-ium
SMILESCOc1[nH+]c(C)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C11H9F3N2O/c1-6-15-9-7(10(16-6)17-2)4-3-5-8(9)11(12,13)14/h3-5H,1-2H3/p+1
InChIKeyHVOFVFGIUOMHTO-UHFFFAOYSA-O
MW243.21 g/mol
LogP2.38
Rot. Bonds1

About 4-methoxy-2-methyl-8-(trifluoromethyl)quinazolin-3-ium

4-methoxy-2-methyl-8-(trifluoromethyl)quinazolin-3-ium (PubChem CID 20674231) has the molecular formula C11H10F3N2O+ and a molecular weight of 243.21 g/mol. Its IUPAC name is 4-methoxy-2-methyl-8-(trifluoromethyl)quinazolin-3-ium.

Molecular Properties

Compound Name4-methoxy-2-methyl-8-(trifluoromethyl)quinazolin-3-ium
PubChem CID20674231
Molecular FormulaC11H10F3N2O+
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name4-methoxy-2-methyl-8-(trifluoromethyl)quinazolin-3-ium
SMILESCOc1[nH+]c(C)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C11H9F3N2O/c1-6-15-9-7(10(16-6)17-2)4-3-5-8(9)11(12,13)14/h3-5H,1-2H3/p+1
InChIKeyHVOFVFGIUOMHTO-UHFFFAOYSA-O
XLogP2.38
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline
CID 20711982
3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline
CID 121236040
2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane
CID 142222859
2-methoxy-3-methyl-7-(trifluoromethyl)-1H-indole
CID 174564104
4-(4-chloro-2-methoxyphenyl)-2-methyl-8-(trifluoromethyl)quinazoline
CID 174590763
2-(4-methoxy-2-methylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 4041653
[4-methyl-8-(trifluoromethyl)quinolin-2-yl]methanamine
CID 82573650
2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline
CID 68735637
2-fluoro-4-methoxy-8-(trifluoromethyl)quinolin-1-ium
CID 22082843
2-chloro-8-(trifluoromethyl)quinazolin-4-amine
CID 34181622
1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine
CID 82575830
4-ethyl-2,8-bis(trifluoromethyl)quinoline
CID 88573891

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-8-(trifluoromethyl)quinazolin-3-ium?
The IUPAC name of 4-methoxy-2-methyl-8-(trifluoromethyl)quinazolin-3-ium (CID 20674231) is 4-methoxy-2-methyl-8-(trifluoromethyl)quinazolin-3-ium.
What is the SMILES notation for 4-methoxy-2-methyl-8-(trifluoromethyl)quinazolin-3-ium?
The canonical SMILES for 4-methoxy-2-methyl-8-(trifluoromethyl)quinazolin-3-ium is COc1[nH+]c(C)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of 4-methoxy-2-methyl-8-(trifluoromethyl)quinazolin-3-ium?
The InChIKey is HVOFVFGIUOMHTO-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H9F3N2O/c1-6-15-9-7(10(16-6)17-2)4-3-5-8(9)11(12,13)14/h3-5H,1-2H3/p+1.
What are the key properties of 4-methoxy-2-methyl-8-(trifluoromethyl)quinazolin-3-ium?
4-methoxy-2-methyl-8-(trifluoromethyl)quinazolin-3-ium has a molecular weight of 243.21 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-8-(trifluoromethyl)quinazolin-3-ium is sourced from PubChem (CID 20674231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).