3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(trifluoromethyl)quinoline-2-carboxamide

C19H16F3N3O2 — CID 171644989

IUPAC3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(trifluoromethyl)quinoline-2-carboxamide
SMILESCc1ccc(O)c(C)c1-c1c(N)c(C(N)=O)nc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C19H16F3N3O2/c1-8-3-6-13(26)9(2)14(8)15-11-7-10(19(20,21)22)4-5-12(11)25-17(16(15)23)18(24)27/h3-7,26H,23H2,1-2H3,(H2,24,27)
InChIKeyRWMWXLJSAZCLSF-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.92
Rot. Bonds2

About 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(trifluoromethyl)quinoline-2-carboxamide

3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(trifluoromethyl)quinoline-2-carboxamide (PubChem CID 171644989) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(trifluoromethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(trifluoromethyl)quinoline-2-carboxamide
PubChem CID171644989
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(trifluoromethyl)quinoline-2-carboxamide
SMILESCc1ccc(O)c(C)c1-c1c(N)c(C(N)=O)nc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C19H16F3N3O2/c1-8-3-6-13(26)9(2)14(8)15-11-7-10(19(20,21)22)4-5-12(11)25-17(16(15)23)18(24)27/h3-7,26H,23H2,1-2H3,(H2,24,27)
InChIKeyRWMWXLJSAZCLSF-UHFFFAOYSA-N
XLogP3.92
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(trifluoromethyl)quinoline-2-carboxamide?
The IUPAC name of 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(trifluoromethyl)quinoline-2-carboxamide (CID 171644989) is 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(trifluoromethyl)quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(trifluoromethyl)quinoline-2-carboxamide?
The canonical SMILES for 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(trifluoromethyl)quinoline-2-carboxamide is Cc1ccc(O)c(C)c1-c1c(N)c(C(N)=O)nc2ccc(C(F)(F)F)cc12.
What is the InChIKey of 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(trifluoromethyl)quinoline-2-carboxamide?
The InChIKey is RWMWXLJSAZCLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-8-3-6-13(26)9(2)14(8)15-11-7-10(19(20,21)22)4-5-12(11)25-17(16(15)23)18(24)27/h3-7,26H,23H2,1-2H3,(H2,24,27).
What are the key properties of 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(trifluoromethyl)quinoline-2-carboxamide?
3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(trifluoromethyl)quinoline-2-carboxamide has a molecular weight of 375.35 g/mol, XLogP of 3.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(trifluoromethyl)quinoline-2-carboxamide is sourced from PubChem (CID 171644989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).