3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid

C18H16N2O2 — CID 702836

IUPAC3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid
SMILESCc1cc(Nc2cccc(C(=O)O)c2)c2cccc(C)c2n1
InChIInChI=1S/C18H16N2O2/c1-11-5-3-8-15-16(9-12(2)19-17(11)15)20-14-7-4-6-13(10-14)18(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)
InChIKeyLRNZTGOCCMNPAA-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.29
Rot. Bonds3

About 3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid

3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid (PubChem CID 702836) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid
PubChem CID702836
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid
SMILESCc1cc(Nc2cccc(C(=O)O)c2)c2cccc(C)c2n1
InChIInChI=1S/C18H16N2O2/c1-11-5-3-8-15-16(9-12(2)19-17(11)15)20-14-7-4-6-13(10-14)18(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)
InChIKeyLRNZTGOCCMNPAA-UHFFFAOYSA-N
XLogP4.29
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790119
3-[(2,8-dimethylquinolin-4-yl)amino]benzoate
CID 4137398
methyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2790120
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
N-(3-bromophenyl)-2,8-dimethylquinolin-4-amine
CID 772388
3-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzoic acid
CID 19258534
3-[(2-methylquinolin-4-yl)amino]benzamide
CID 90862215
ethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate
CID 715750
3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953
4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid
CID 7138171
4-[(8-carboxy-2-methylquinolin-4-yl)amino]phenolate
CID 54698935
N-[2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[(2-methylquinolin-4-yl)amino]benzamide
CID 58958066

Frequently Asked Questions

What is the IUPAC name of 3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid?
The IUPAC name of 3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid (CID 702836) is 3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid.
What is the SMILES notation for 3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid?
The canonical SMILES for 3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid is Cc1cc(Nc2cccc(C(=O)O)c2)c2cccc(C)c2n1.
What is the InChIKey of 3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid?
The InChIKey is LRNZTGOCCMNPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-11-5-3-8-15-16(9-12(2)19-17(11)15)20-14-7-4-6-13(10-14)18(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid?
3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid has a molecular weight of 292.34 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid is sourced from PubChem (CID 702836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).