4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid

C17H13FN2O3 — CID 7137766

IUPAC4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid
SMILESCOc1ccc2ncc(C(=O)O)c(Nc3ccc(F)cc3)c2c1
InChIInChI=1S/C17H13FN2O3/c1-23-12-6-7-15-13(8-12)16(14(9-19-15)17(21)22)20-11-4-2-10(18)3-5-11/h2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyZRMVDNISYIGIQE-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.82
Rot. Bonds4

About 4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid

4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid (PubChem CID 7137766) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid
PubChem CID7137766
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid
SMILESCOc1ccc2ncc(C(=O)O)c(Nc3ccc(F)cc3)c2c1
InChIInChI=1S/C17H13FN2O3/c1-23-12-6-7-15-13(8-12)16(14(9-19-15)17(21)22)20-11-4-2-10(18)3-5-11/h2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyZRMVDNISYIGIQE-UHFFFAOYSA-N
XLogP3.82
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluoroanilino)-6-methoxyquinoline-3-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

4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 18590638
4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 20982484
[6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone
CID 53001502
6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid
CID 7719227
4-(3-carboxylatoanilino)-6-methoxyquinoline-3-carboxylate
CID 7137761
6-methoxy-4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carbohydrazide
CID 122193458
3-[(3-ethoxycarbonyl-6-methoxyquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790549
4-[4-(dimethylamino)anilino]quinoline-3,6-dicarboxylic acid;hydrochloride
CID 22694130
ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate
CID 23903151
4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid
CID 58173125
ethyl 4-(3-ethoxycarbonylanilino)-6-methoxyquinoline-3-carboxylate
CID 23885216
6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride
CID 20982489

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid?
The IUPAC name of 4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid (CID 7137766) is 4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid.
What is the SMILES notation for 4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid?
The canonical SMILES for 4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid is COc1ccc2ncc(C(=O)O)c(Nc3ccc(F)cc3)c2c1.
What is the InChIKey of 4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid?
The InChIKey is ZRMVDNISYIGIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-23-12-6-7-15-13(8-12)16(14(9-19-15)17(21)22)20-11-4-2-10(18)3-5-11/h2-9H,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid?
4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid has a molecular weight of 312.30 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid is sourced from PubChem (CID 7137766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).