4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid

C18H16N2O4 — CID 141052127

IUPAC4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid
SMILESCOc1cc2nccc(Oc3ccc(N)c(C)c3)c2cc1C(=O)O
InChIInChI=1S/C18H16N2O4/c1-10-7-11(3-4-14(10)19)24-16-5-6-20-15-9-17(23-2)13(18(21)22)8-12(15)16/h3-9H,19H2,1-2H3,(H,21,22)
InChIKeyUCYWDMLWKXLNPO-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.62
Rot. Bonds4

About 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid

4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid (PubChem CID 141052127) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid.

Molecular Properties

Compound Name4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid
PubChem CID141052127
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid
SMILESCOc1cc2nccc(Oc3ccc(N)c(C)c3)c2cc1C(=O)O
InChIInChI=1S/C18H16N2O4/c1-10-7-11(3-4-14(10)19)24-16-5-6-20-15-9-17(23-2)13(18(21)22)8-12(15)16/h3-9H,19H2,1-2H3,(H,21,22)
InChIKeyUCYWDMLWKXLNPO-UHFFFAOYSA-N
XLogP3.62
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid 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

methyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate
CID 22936380
4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxylic acid;hydrochloride
CID 171394597
4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936372
4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 89132178
4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide
CID 89363479
4-(4-amino-2-chlorophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 123279032
4-(4-chloro-3-nitrophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 22936444
4-(3-chloro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 134333908
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid
CID 23078521
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
CID 22936357
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
[2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid
CID 68668429

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid?
The IUPAC name of 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid (CID 141052127) is 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid.
What is the SMILES notation for 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid?
The canonical SMILES for 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid is COc1cc2nccc(Oc3ccc(N)c(C)c3)c2cc1C(=O)O.
What is the InChIKey of 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid?
The InChIKey is UCYWDMLWKXLNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-10-7-11(3-4-14(10)19)24-16-5-6-20-15-9-17(23-2)13(18(21)22)8-12(15)16/h3-9H,19H2,1-2H3,(H,21,22).
What are the key properties of 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid?
4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid has a molecular weight of 324.34 g/mol, XLogP of 3.62, 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-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid is sourced from PubChem (CID 141052127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).