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

C18H16FN3O3 — CID 89132178

IUPAC4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(N)c(CF)c3)c2cc1C(N)=O
InChIInChI=1S/C18H16FN3O3/c1-24-17-8-15-12(7-13(17)18(21)23)16(4-5-22-15)25-11-2-3-14(20)10(6-11)9-19/h2-8H,9,20H2,1H3,(H2,21,23)
InChIKeyVPSKBQJEPGPGPX-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.19
Rot. Bonds5

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

4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide (PubChem CID 89132178) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
PubChem CID89132178
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(N)c(CF)c3)c2cc1C(N)=O
InChIInChI=1S/C18H16FN3O3/c1-24-17-8-15-12(7-13(17)18(21)23)16(4-5-22-15)25-11-2-3-14(20)10(6-11)9-19/h2-8H,9,20H2,1H3,(H2,21,23)
InChIKeyVPSKBQJEPGPGPX-UHFFFAOYSA-N
XLogP3.19
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-amino-3-(fluoromethyl)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-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936372
2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 67304323
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
7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide
CID 134333891
4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide
CID 157234662
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
CID 22936357
4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide
CID 89363479
4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide
CID 166095714
4-(4-amino-3-chloro-2-ethoxy-6-fluorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 174194248
7-methoxy-4-[3-methoxy-5-(methylcarbamoyl)phenoxy]quinoline-6-carboxamide
CID 171763786

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide (CID 89132178) is 4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc(N)c(CF)c3)c2cc1C(N)=O.
What is the InChIKey of 4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide?
The InChIKey is VPSKBQJEPGPGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-24-17-8-15-12(7-13(17)18(21)23)16(4-5-22-15)25-11-2-3-14(20)10(6-11)9-19/h2-8H,9,20H2,1H3,(H2,21,23).
What are the key properties of 4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide?
4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 89132178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).