6-methoxy-N-propan-2-yl-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide

C21H19F3N2O3 — CID 155213935

IUPAC6-methoxy-N-propan-2-yl-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
SMILESCOc1cc(Oc2ccc(C(F)(F)F)cc2)c2ncc(C(=O)NC(C)C)cc2c1
InChIInChI=1S/C21H19F3N2O3/c1-12(2)26-20(27)14-8-13-9-17(28-3)10-18(19(13)25-11-14)29-16-6-4-15(5-7-16)21(22,23)24/h4-12H,1-3H3,(H,26,27)
InChIKeyXQCFMFOGUBNTNE-UHFFFAOYSA-N
MW404.39 g/mol
LogP5.19
Rot. Bonds5

About 6-methoxy-N-propan-2-yl-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide

6-methoxy-N-propan-2-yl-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide (PubChem CID 155213935) has the molecular formula C21H19F3N2O3 and a molecular weight of 404.39 g/mol. Its IUPAC name is 6-methoxy-N-propan-2-yl-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-propan-2-yl-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
PubChem CID155213935
Molecular FormulaC21H19F3N2O3
Molecular Weight404.39 g/mol
Exact Mass404.13
IUPAC Name6-methoxy-N-propan-2-yl-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
SMILESCOc1cc(Oc2ccc(C(F)(F)F)cc2)c2ncc(C(=O)NC(C)C)cc2c1
InChIInChI=1S/C21H19F3N2O3/c1-12(2)26-20(27)14-8-13-9-17(28-3)10-18(19(13)25-11-14)29-16-6-4-15(5-7-16)21(22,23)24/h4-12H,1-3H3,(H,26,27)
InChIKeyXQCFMFOGUBNTNE-UHFFFAOYSA-N
XLogP5.19
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.39
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-propan-2-yl-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide?
The IUPAC name of 6-methoxy-N-propan-2-yl-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide (CID 155213935) is 6-methoxy-N-propan-2-yl-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-propan-2-yl-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide?
The canonical SMILES for 6-methoxy-N-propan-2-yl-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide is COc1cc(Oc2ccc(C(F)(F)F)cc2)c2ncc(C(=O)NC(C)C)cc2c1.
What is the InChIKey of 6-methoxy-N-propan-2-yl-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide?
The InChIKey is XQCFMFOGUBNTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O3/c1-12(2)26-20(27)14-8-13-9-17(28-3)10-18(19(13)25-11-14)29-16-6-4-15(5-7-16)21(22,23)24/h4-12H,1-3H3,(H,26,27).
What are the key properties of 6-methoxy-N-propan-2-yl-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide?
6-methoxy-N-propan-2-yl-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-propan-2-yl-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide is sourced from PubChem (CID 155213935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).