4-(4-amino-2-chlorophenoxy)-7-methoxyquinoline-6-carboxylic acid

C17H13ClN2O4 — CID 123279032

IUPAC4-(4-amino-2-chlorophenoxy)-7-methoxyquinoline-6-carboxylic acid
SMILESCOc1cc2nccc(Oc3ccc(N)cc3Cl)c2cc1C(=O)O
InChIInChI=1S/C17H13ClN2O4/c1-23-16-8-13-10(7-11(16)17(21)22)14(4-5-20-13)24-15-3-2-9(19)6-12(15)18/h2-8H,19H2,1H3,(H,21,22)
InChIKeyHWFOCCRLZFLOTQ-UHFFFAOYSA-N
MW344.75 g/mol
LogP3.97
Rot. Bonds4

About 4-(4-amino-2-chlorophenoxy)-7-methoxyquinoline-6-carboxylic acid

4-(4-amino-2-chlorophenoxy)-7-methoxyquinoline-6-carboxylic acid (PubChem CID 123279032) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is 4-(4-amino-2-chlorophenoxy)-7-methoxyquinoline-6-carboxylic acid.

Molecular Properties

Compound Name4-(4-amino-2-chlorophenoxy)-7-methoxyquinoline-6-carboxylic acid
PubChem CID123279032
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name4-(4-amino-2-chlorophenoxy)-7-methoxyquinoline-6-carboxylic acid
SMILESCOc1cc2nccc(Oc3ccc(N)cc3Cl)c2cc1C(=O)O
InChIInChI=1S/C17H13ClN2O4/c1-23-16-8-13-10(7-11(16)17(21)22)14(4-5-20-13)24-15-3-2-9(19)6-12(15)18/h2-8H,19H2,1H3,(H,21,22)
InChIKeyHWFOCCRLZFLOTQ-UHFFFAOYSA-N
XLogP3.97
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 11268045
4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxylic acid;hydrochloride
CID 171394597
4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 141052127
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid
CID 23078521
3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline
CID 90017152
4-(4-amino-2-fluorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide
CID 155779628
4-(3-chloro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 134333908
4-(4-chloro-3-nitrophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 22936444
3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;1-[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 158726565
3-chloro-4-quinolin-4-yloxyaniline
CID 61341550
[2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid
CID 68668429
methyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate
CID 22936380

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-chlorophenoxy)-7-methoxyquinoline-6-carboxylic acid?
The IUPAC name of 4-(4-amino-2-chlorophenoxy)-7-methoxyquinoline-6-carboxylic acid (CID 123279032) is 4-(4-amino-2-chlorophenoxy)-7-methoxyquinoline-6-carboxylic acid.
What is the SMILES notation for 4-(4-amino-2-chlorophenoxy)-7-methoxyquinoline-6-carboxylic acid?
The canonical SMILES for 4-(4-amino-2-chlorophenoxy)-7-methoxyquinoline-6-carboxylic acid is COc1cc2nccc(Oc3ccc(N)cc3Cl)c2cc1C(=O)O.
What is the InChIKey of 4-(4-amino-2-chlorophenoxy)-7-methoxyquinoline-6-carboxylic acid?
The InChIKey is HWFOCCRLZFLOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-23-16-8-13-10(7-11(16)17(21)22)14(4-5-20-13)24-15-3-2-9(19)6-12(15)18/h2-8H,19H2,1H3,(H,21,22).
What are the key properties of 4-(4-amino-2-chlorophenoxy)-7-methoxyquinoline-6-carboxylic acid?
4-(4-amino-2-chlorophenoxy)-7-methoxyquinoline-6-carboxylic acid has a molecular weight of 344.75 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-chlorophenoxy)-7-methoxyquinoline-6-carboxylic acid is sourced from PubChem (CID 123279032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).