4-[(8-carboxy-2-methylquinolin-4-yl)amino]phenolate

C17H13N2O3- — CID 54698935

IUPAC4-[(8-carboxy-2-methylquinolin-4-yl)amino]phenolate
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)/p-1
InChIKeyFZNNREDGYRSHPU-UHFFFAOYSA-M
MW293.30 g/mol
LogP3.06
Rot. Bonds3

About 4-[(8-carboxy-2-methylquinolin-4-yl)amino]phenolate

4-[(8-carboxy-2-methylquinolin-4-yl)amino]phenolate (PubChem CID 54698935) has the molecular formula C17H13N2O3- and a molecular weight of 293.30 g/mol. Its IUPAC name is 4-[(8-carboxy-2-methylquinolin-4-yl)amino]phenolate.

Molecular Properties

Compound Name4-[(8-carboxy-2-methylquinolin-4-yl)amino]phenolate
PubChem CID54698935
Molecular FormulaC17H13N2O3-
Molecular Weight293.30 g/mol
Exact Mass293.09
IUPAC Name4-[(8-carboxy-2-methylquinolin-4-yl)amino]phenolate
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)/p-1
InChIKeyFZNNREDGYRSHPU-UHFFFAOYSA-M
XLogP3.06
TPSA85.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid
CID 7138171
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
N-[4-[4-[(2-methyl-8-piperidin-1-ylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide
CID 137376661
2-methyl-4-(2-morpholin-4-ylanilino)quinoline-8-carboxylate
CID 7138180
4-[(8-bromo-2-methylquinolin-4-yl)amino]phenol
CID 978277
3-[(2,8-dimethylquinolin-4-yl)amino]benzoate
CID 4137398
ethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate
CID 715750
4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
CID 14052838
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
4-[(2-methylquinolin-4-yl)amino]phenol
CID 939157

Frequently Asked Questions

What is the IUPAC name of 4-[(8-carboxy-2-methylquinolin-4-yl)amino]phenolate?
The IUPAC name of 4-[(8-carboxy-2-methylquinolin-4-yl)amino]phenolate (CID 54698935) is 4-[(8-carboxy-2-methylquinolin-4-yl)amino]phenolate.
What is the SMILES notation for 4-[(8-carboxy-2-methylquinolin-4-yl)amino]phenolate?
The canonical SMILES for 4-[(8-carboxy-2-methylquinolin-4-yl)amino]phenolate is Cc1cc(Nc2ccc([O-])cc2)c2cccc(C(=O)O)c2n1.
What is the InChIKey of 4-[(8-carboxy-2-methylquinolin-4-yl)amino]phenolate?
The InChIKey is FZNNREDGYRSHPU-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 4-[(8-carboxy-2-methylquinolin-4-yl)amino]phenolate?
4-[(8-carboxy-2-methylquinolin-4-yl)amino]phenolate has a molecular weight of 293.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-carboxy-2-methylquinolin-4-yl)amino]phenolate is sourced from PubChem (CID 54698935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).