3-[(2-methylquinolin-4-yl)amino]benzoic acid

C17H14N2O2 — CID 43419955

IUPAC3-[(2-methylquinolin-4-yl)amino]benzoic acid
SMILESCc1cc(Nc2cccc(C(=O)O)c2)c2ccccc2n1
InChIInChI=1S/C17H14N2O2/c1-11-9-16(14-7-2-3-8-15(14)18-11)19-13-6-4-5-12(10-13)17(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyNNYVYYHPWHWDGH-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.99
Rot. Bonds3

About 3-[(2-methylquinolin-4-yl)amino]benzoic acid

3-[(2-methylquinolin-4-yl)amino]benzoic acid (PubChem CID 43419955) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[(2-methylquinolin-4-yl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(2-methylquinolin-4-yl)amino]benzoic acid
PubChem CID43419955
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-[(2-methylquinolin-4-yl)amino]benzoic acid
SMILESCc1cc(Nc2cccc(C(=O)O)c2)c2ccccc2n1
InChIInChI=1S/C17H14N2O2/c1-11-9-16(14-7-2-3-8-15(14)18-11)19-13-6-4-5-12(10-13)17(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyNNYVYYHPWHWDGH-UHFFFAOYSA-N
XLogP3.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylquinolin-4-yl)amino]benzamide
CID 90862215
3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid
CID 702836
3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790119
3-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzoic acid
CID 19258534
3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953
4-[(2-methylquinolin-4-yl)amino]phenol
CID 939157
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[(2-methylquinolin-4-yl)amino]benzamide
CID 58958075
methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2789796
N-[2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[(2-methylquinolin-4-yl)amino]benzamide
CID 58958066
3-[(2,8-dimethylquinolin-4-yl)amino]benzoate
CID 4137398
2-[3-[(2-methylquinolin-4-yl)amino]phenyl]-N-(2-phenylethyl)acetamide
CID 58958139
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylquinolin-4-yl)amino]benzoic acid?
The IUPAC name of 3-[(2-methylquinolin-4-yl)amino]benzoic acid (CID 43419955) is 3-[(2-methylquinolin-4-yl)amino]benzoic acid.
What is the SMILES notation for 3-[(2-methylquinolin-4-yl)amino]benzoic acid?
The canonical SMILES for 3-[(2-methylquinolin-4-yl)amino]benzoic acid is Cc1cc(Nc2cccc(C(=O)O)c2)c2ccccc2n1.
What is the InChIKey of 3-[(2-methylquinolin-4-yl)amino]benzoic acid?
The InChIKey is NNYVYYHPWHWDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-9-16(14-7-2-3-8-15(14)18-11)19-13-6-4-5-12(10-13)17(20)21/h2-10H,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(2-methylquinolin-4-yl)amino]benzoic acid?
3-[(2-methylquinolin-4-yl)amino]benzoic acid has a molecular weight of 278.31 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylquinolin-4-yl)amino]benzoic acid is sourced from PubChem (CID 43419955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).