4-(2-carboxyanilino)-6-(1H-indol-5-yloxy)quinoline-3-carboxylic acid

C25H17N3O5 — CID 155245846

IUPAC4-(2-carboxyanilino)-6-(1H-indol-5-yloxy)quinoline-3-carboxylic acid
SMILESO=C(O)c1ccccc1Nc1c(C(=O)O)cnc2ccc(Oc3ccc4[nH]ccc4c3)cc12
InChIInChI=1S/C25H17N3O5/c29-24(30)17-3-1-2-4-22(17)28-23-18-12-16(6-8-21(18)27-13-19(23)25(31)32)33-15-5-7-20-14(11-15)9-10-26-20/h1-13,26H,(H,27,28)(H,29,30)(H,31,32)
InChIKeyWUHDXUVRGIWBRH-UHFFFAOYSA-N
MW439.43 g/mol
LogP5.65
Rot. Bonds6

About 4-(2-carboxyanilino)-6-(1H-indol-5-yloxy)quinoline-3-carboxylic acid

4-(2-carboxyanilino)-6-(1H-indol-5-yloxy)quinoline-3-carboxylic acid (PubChem CID 155245846) has the molecular formula C25H17N3O5 and a molecular weight of 439.43 g/mol. Its IUPAC name is 4-(2-carboxyanilino)-6-(1H-indol-5-yloxy)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-carboxyanilino)-6-(1H-indol-5-yloxy)quinoline-3-carboxylic acid
PubChem CID155245846
Molecular FormulaC25H17N3O5
Molecular Weight439.43 g/mol
Exact Mass439.12
IUPAC Name4-(2-carboxyanilino)-6-(1H-indol-5-yloxy)quinoline-3-carboxylic acid
SMILESO=C(O)c1ccccc1Nc1c(C(=O)O)cnc2ccc(Oc3ccc4[nH]ccc4c3)cc12
InChIInChI=1S/C25H17N3O5/c29-24(30)17-3-1-2-4-22(17)28-23-18-12-16(6-8-21(18)27-13-19(23)25(31)32)33-15-5-7-20-14(11-15)9-10-26-20/h1-13,26H,(H,27,28)(H,29,30)(H,31,32)
InChIKeyWUHDXUVRGIWBRH-UHFFFAOYSA-N
XLogP5.65
TPSA124.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.43
LogP ≤ 55.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 18590638
2-[[3-ethoxycarbonyl-6-(1H-indol-4-yl)quinolin-4-yl]amino]benzoic acid
CID 155235631
2-[(6-bromo-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid;2-[[3-ethoxycarbonyl-6-(1H-indol-4-yl)quinolin-4-yl]amino]benzoic acid;methane
CID 167565447
methyl 2-benzamido-4-(1H-indol-5-yloxy)benzoate
CID 71169305
4-(1H-indol-5-yloxy)benzoic acid
CID 129206286
4-amino-6-phenoxyquinoline-3-carboxylic acid
CID 54588448
2-[(3-cyano-6-methylquinolin-4-yl)amino]benzoic acid
CID 167600659
2-[(6-bromo-3-cyanoquinolin-4-yl)amino]benzoic acid
CID 155235404
4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid
CID 7137766
2-[4-(1H-indol-5-ylamino)quinazolin-6-yl]benzoic acid
CID 22000120
2-[[6-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]quinolin-4-yl]amino]benzoic acid
CID 167649554
6-phenoxy-4-(trifluoromethyl)quinoline-3-carboxylic acid
CID 16779821

Frequently Asked Questions

What is the IUPAC name of 4-(2-carboxyanilino)-6-(1H-indol-5-yloxy)quinoline-3-carboxylic acid?
The IUPAC name of 4-(2-carboxyanilino)-6-(1H-indol-5-yloxy)quinoline-3-carboxylic acid (CID 155245846) is 4-(2-carboxyanilino)-6-(1H-indol-5-yloxy)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-(2-carboxyanilino)-6-(1H-indol-5-yloxy)quinoline-3-carboxylic acid?
The canonical SMILES for 4-(2-carboxyanilino)-6-(1H-indol-5-yloxy)quinoline-3-carboxylic acid is O=C(O)c1ccccc1Nc1c(C(=O)O)cnc2ccc(Oc3ccc4[nH]ccc4c3)cc12.
What is the InChIKey of 4-(2-carboxyanilino)-6-(1H-indol-5-yloxy)quinoline-3-carboxylic acid?
The InChIKey is WUHDXUVRGIWBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O5/c29-24(30)17-3-1-2-4-22(17)28-23-18-12-16(6-8-21(18)27-13-19(23)25(31)32)33-15-5-7-20-14(11-15)9-10-26-20/h1-13,26H,(H,27,28)(H,29,30)(H,31,32).
What are the key properties of 4-(2-carboxyanilino)-6-(1H-indol-5-yloxy)quinoline-3-carboxylic acid?
4-(2-carboxyanilino)-6-(1H-indol-5-yloxy)quinoline-3-carboxylic acid has a molecular weight of 439.43 g/mol, XLogP of 5.65, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carboxyanilino)-6-(1H-indol-5-yloxy)quinoline-3-carboxylic acid is sourced from PubChem (CID 155245846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).