6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-4-amine

C19H17F3N2O — CID 4841980

IUPAC6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-4-amine
SMILESCOc1ccc2nc(C)cc(NCc3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C19H17F3N2O/c1-12-8-18(16-10-15(25-2)6-7-17(16)24-12)23-11-13-4-3-5-14(9-13)19(20,21)22/h3-10H,11H2,1-2H3,(H,23,24)
InChIKeySGDQPSJNELHSAJ-UHFFFAOYSA-N
MW346.35 g/mol
LogP5.18
Rot. Bonds4

About 6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-4-amine

6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-4-amine (PubChem CID 4841980) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-4-amine
PubChem CID4841980
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-4-amine
SMILESCOc1ccc2nc(C)cc(NCc3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C19H17F3N2O/c1-12-8-18(16-10-15(25-2)6-7-17(16)24-12)23-11-13-4-3-5-14(9-13)19(20,21)22/h3-10H,11H2,1-2H3,(H,23,24)
InChIKeySGDQPSJNELHSAJ-UHFFFAOYSA-N
XLogP5.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.35
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-4-amine?
The IUPAC name of 6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-4-amine (CID 4841980) is 6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-4-amine.
What is the SMILES notation for 6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-4-amine?
The canonical SMILES for 6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-4-amine is COc1ccc2nc(C)cc(NCc3cccc(C(F)(F)F)c3)c2c1.
What is the InChIKey of 6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-4-amine?
The InChIKey is SGDQPSJNELHSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c1-12-8-18(16-10-15(25-2)6-7-17(16)24-12)23-11-13-4-3-5-14(9-13)19(20,21)22/h3-10H,11H2,1-2H3,(H,23,24).
What are the key properties of 6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-4-amine?
6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-4-amine has a molecular weight of 346.35 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-4-amine is sourced from PubChem (CID 4841980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).