4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide

C18H14F3N3O3 — CID 22936372

IUPAC4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(N)c(C(F)(F)F)c3)c2cc1C(N)=O
InChIInChI=1S/C18H14F3N3O3/c1-26-16-8-14-10(7-11(16)17(23)25)15(4-5-24-14)27-9-2-3-13(22)12(6-9)18(19,20)21/h2-8H,22H2,1H3,(H2,23,25)
InChIKeyXFSIYWSLLZHFPG-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.74
Rot. Bonds4

About 4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide

4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide (PubChem CID 22936372) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
PubChem CID22936372
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(N)c(C(F)(F)F)c3)c2cc1C(N)=O
InChIInChI=1S/C18H14F3N3O3/c1-26-16-8-14-10(7-11(16)17(23)25)15(4-5-24-14)27-9-2-3-13(22)12(6-9)18(19,20)21/h2-8H,22H2,1H3,(H2,23,25)
InChIKeyXFSIYWSLLZHFPG-UHFFFAOYSA-N
XLogP3.74
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 89132178
4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 141052127
methyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate
CID 22936380
4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 141404312
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
CID 22936357
2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 67304323
4-[3-chloro-4-[(1,1,1-trifluoro-2-methylpropan-2-yl)carbamothioylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 134333804
4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide
CID 166095714
4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide
CID 157234662
7-methoxy-4-[3-methoxy-5-(methylcarbamoyl)phenoxy]quinoline-6-carboxamide
CID 171763786
4-[3-chloro-4-[[1-(trifluoromethyl)cyclopropyl]carbamothioylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 134333929
7-(6,7-dimethoxyquinolin-4-yl)oxy-3-[4-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxamide
CID 142776505

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide (CID 22936372) is 4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc(N)c(C(F)(F)F)c3)c2cc1C(N)=O.
What is the InChIKey of 4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide?
The InChIKey is XFSIYWSLLZHFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-26-16-8-14-10(7-11(16)17(23)25)15(4-5-24-14)27-9-2-3-13(22)12(6-9)18(19,20)21/h2-8H,22H2,1H3,(H2,23,25).
What are the key properties of 4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide?
4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide has a molecular weight of 377.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 22936372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).