6-methoxy-N-methyl-N-(4-methylphenyl)-4-(trifluoromethyl)quinolin-2-amine

C19H17F3N2O — CID 171779431

IUPAC6-methoxy-N-methyl-N-(4-methylphenyl)-4-(trifluoromethyl)quinolin-2-amine
SMILESCOc1ccc2nc(N(C)c3ccc(C)cc3)cc(C(F)(F)F)c2c1
InChIInChI=1S/C19H17F3N2O/c1-12-4-6-13(7-5-12)24(2)18-11-16(19(20,21)22)15-10-14(25-3)8-9-17(15)23-18/h4-11H,1-3H3
InChIKeyRRQZYOSKUXGEEC-UHFFFAOYSA-N
MW346.35 g/mol
LogP5.34
Rot. Bonds3

About 6-methoxy-N-methyl-N-(4-methylphenyl)-4-(trifluoromethyl)quinolin-2-amine

6-methoxy-N-methyl-N-(4-methylphenyl)-4-(trifluoromethyl)quinolin-2-amine (PubChem CID 171779431) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is 6-methoxy-N-methyl-N-(4-methylphenyl)-4-(trifluoromethyl)quinolin-2-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-N-(4-methylphenyl)-4-(trifluoromethyl)quinolin-2-amine
PubChem CID171779431
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name6-methoxy-N-methyl-N-(4-methylphenyl)-4-(trifluoromethyl)quinolin-2-amine
SMILESCOc1ccc2nc(N(C)c3ccc(C)cc3)cc(C(F)(F)F)c2c1
InChIInChI=1S/C19H17F3N2O/c1-12-4-6-13(7-5-12)24(2)18-11-16(19(20,21)22)15-10-14(25-3)8-9-17(15)23-18/h4-11H,1-3H3
InChIKeyRRQZYOSKUXGEEC-UHFFFAOYSA-N
XLogP5.34
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.35
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-N-(4-methylphenyl)-4-(trifluoromethyl)quinolin-2-amine?
The IUPAC name of 6-methoxy-N-methyl-N-(4-methylphenyl)-4-(trifluoromethyl)quinolin-2-amine (CID 171779431) is 6-methoxy-N-methyl-N-(4-methylphenyl)-4-(trifluoromethyl)quinolin-2-amine.
What is the SMILES notation for 6-methoxy-N-methyl-N-(4-methylphenyl)-4-(trifluoromethyl)quinolin-2-amine?
The canonical SMILES for 6-methoxy-N-methyl-N-(4-methylphenyl)-4-(trifluoromethyl)quinolin-2-amine is COc1ccc2nc(N(C)c3ccc(C)cc3)cc(C(F)(F)F)c2c1.
What is the InChIKey of 6-methoxy-N-methyl-N-(4-methylphenyl)-4-(trifluoromethyl)quinolin-2-amine?
The InChIKey is RRQZYOSKUXGEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c1-12-4-6-13(7-5-12)24(2)18-11-16(19(20,21)22)15-10-14(25-3)8-9-17(15)23-18/h4-11H,1-3H3.
What are the key properties of 6-methoxy-N-methyl-N-(4-methylphenyl)-4-(trifluoromethyl)quinolin-2-amine?
6-methoxy-N-methyl-N-(4-methylphenyl)-4-(trifluoromethyl)quinolin-2-amine has a molecular weight of 346.35 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-N-(4-methylphenyl)-4-(trifluoromethyl)quinolin-2-amine is sourced from PubChem (CID 171779431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).