2-methoxy-8-methyl-3-[4-(trifluoromethoxy)phenyl]quinoline-4-carbonitrile

C19H13F3N2O2 — CID 141451748

IUPAC2-methoxy-8-methyl-3-[4-(trifluoromethoxy)phenyl]quinoline-4-carbonitrile
SMILESCOc1nc2c(C)cccc2c(C#N)c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H13F3N2O2/c1-11-4-3-5-14-15(10-23)16(18(25-2)24-17(11)14)12-6-8-13(9-7-12)26-19(20,21)22/h3-9H,1-2H3
InChIKeyVVLXYOUPGJCAFT-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.99
Rot. Bonds3

About 2-methoxy-8-methyl-3-[4-(trifluoromethoxy)phenyl]quinoline-4-carbonitrile

2-methoxy-8-methyl-3-[4-(trifluoromethoxy)phenyl]quinoline-4-carbonitrile (PubChem CID 141451748) has the molecular formula C19H13F3N2O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-methoxy-8-methyl-3-[4-(trifluoromethoxy)phenyl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-methoxy-8-methyl-3-[4-(trifluoromethoxy)phenyl]quinoline-4-carbonitrile
PubChem CID141451748
Molecular FormulaC19H13F3N2O2
Molecular Weight358.32 g/mol
Exact Mass358.09
IUPAC Name2-methoxy-8-methyl-3-[4-(trifluoromethoxy)phenyl]quinoline-4-carbonitrile
SMILESCOc1nc2c(C)cccc2c(C#N)c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H13F3N2O2/c1-11-4-3-5-14-15(10-23)16(18(25-2)24-17(11)14)12-6-8-13(9-7-12)26-19(20,21)22/h3-9H,1-2H3
InChIKeyVVLXYOUPGJCAFT-UHFFFAOYSA-N
XLogP4.99
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-8-methyl-3-[4-(trifluoromethoxy)phenyl]quinoline-4-carbonitrile?
The IUPAC name of 2-methoxy-8-methyl-3-[4-(trifluoromethoxy)phenyl]quinoline-4-carbonitrile (CID 141451748) is 2-methoxy-8-methyl-3-[4-(trifluoromethoxy)phenyl]quinoline-4-carbonitrile.
What is the SMILES notation for 2-methoxy-8-methyl-3-[4-(trifluoromethoxy)phenyl]quinoline-4-carbonitrile?
The canonical SMILES for 2-methoxy-8-methyl-3-[4-(trifluoromethoxy)phenyl]quinoline-4-carbonitrile is COc1nc2c(C)cccc2c(C#N)c1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methoxy-8-methyl-3-[4-(trifluoromethoxy)phenyl]quinoline-4-carbonitrile?
The InChIKey is VVLXYOUPGJCAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O2/c1-11-4-3-5-14-15(10-23)16(18(25-2)24-17(11)14)12-6-8-13(9-7-12)26-19(20,21)22/h3-9H,1-2H3.
What are the key properties of 2-methoxy-8-methyl-3-[4-(trifluoromethoxy)phenyl]quinoline-4-carbonitrile?
2-methoxy-8-methyl-3-[4-(trifluoromethoxy)phenyl]quinoline-4-carbonitrile has a molecular weight of 358.32 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8-methyl-3-[4-(trifluoromethoxy)phenyl]quinoline-4-carbonitrile is sourced from PubChem (CID 141451748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).