4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid

C17H14N2O3 — CID 7138171

IUPAC4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid
SMILESCc1cc(Nc2ccc(O)cc2)c2cccc(C(=O)O)c2n1
InChIInChI=1S/C17H14N2O3/c1-10-9-15(19-11-5-7-12(20)8-6-11)13-3-2-4-14(17(21)22)16(13)18-10/h2-9,20H,1H3,(H,18,19)(H,21,22)
InChIKeyFZNNREDGYRSHPU-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.69
Rot. Bonds3

About 4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid

4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid (PubChem CID 7138171) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid.

Molecular Properties

Compound Name4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid
PubChem CID7138171
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid
SMILESCc1cc(Nc2ccc(O)cc2)c2cccc(C(=O)O)c2n1
InChIInChI=1S/C17H14N2O3/c1-10-9-15(19-11-5-7-12(20)8-6-11)13-3-2-4-14(17(21)22)16(13)18-10/h2-9,20H,1H3,(H,18,19)(H,21,22)
InChIKeyFZNNREDGYRSHPU-UHFFFAOYSA-N
XLogP3.69
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(8-carboxy-2-methylquinolin-4-yl)amino]phenolate
CID 54698935
4-[(8-bromo-2-methylquinolin-4-yl)amino]phenol
CID 978277
4-[(2-methylquinolin-4-yl)amino]phenol
CID 939157
3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid
CID 702836
3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790119
4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-8-carboxylic acid
CID 7138156
4-[(2,6,8-trimethylquinolin-4-yl)amino]phenol
CID 696659
4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 16876467
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
2-(4-hydroxyanilino)benzoic acid
CID 11593806
ethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate
CID 715750
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-[(2-methylbenzo[h]quinolin-4-yl)amino]benzamide
CID 136836269

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid?
The IUPAC name of 4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid (CID 7138171) is 4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid.
What is the SMILES notation for 4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid?
The canonical SMILES for 4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid is Cc1cc(Nc2ccc(O)cc2)c2cccc(C(=O)O)c2n1.
What is the InChIKey of 4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid?
The InChIKey is FZNNREDGYRSHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-10-9-15(19-11-5-7-12(20)8-6-11)13-3-2-4-14(17(21)22)16(13)18-10/h2-9,20H,1H3,(H,18,19)(H,21,22).
What are the key properties of 4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid?
4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid is sourced from PubChem (CID 7138171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).