3-[(2-methylquinolin-4-yl)amino]benzamide

C17H15N3O — CID 90862215

IUPAC3-[(2-methylquinolin-4-yl)amino]benzamide
SMILESCc1cc(Nc2cccc(C(N)=O)c2)c2ccccc2n1
InChIInChI=1S/C17H15N3O/c1-11-9-16(14-7-2-3-8-15(14)19-11)20-13-6-4-5-12(10-13)17(18)21/h2-10H,1H3,(H2,18,21)(H,19,20)
InChIKeyVIYYAYPHDVWUHO-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.39
Rot. Bonds3

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

3-[(2-methylquinolin-4-yl)amino]benzamide (PubChem CID 90862215) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-[(2-methylquinolin-4-yl)amino]benzamide.

Molecular Properties

Compound Name3-[(2-methylquinolin-4-yl)amino]benzamide
PubChem CID90862215
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-[(2-methylquinolin-4-yl)amino]benzamide
SMILESCc1cc(Nc2cccc(C(N)=O)c2)c2ccccc2n1
InChIInChI=1S/C17H15N3O/c1-11-9-16(14-7-2-3-8-15(14)19-11)20-13-6-4-5-12(10-13)17(18)21/h2-10H,1H3,(H2,18,21)(H,19,20)
InChIKeyVIYYAYPHDVWUHO-UHFFFAOYSA-N
XLogP3.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2-methylquinolin-4-yl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid
CID 702836
3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790119
3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953
4-[(2-methylquinolin-4-yl)amino]phenol
CID 939157
3-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzoic acid
CID 19258534
methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2789796
3-[(2,8-dimethylquinolin-4-yl)amino]benzoate
CID 4137398
2-[3-[(2-methylquinolin-4-yl)amino]phenyl]-N-(2-phenylethyl)acetamide
CID 58958139
2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide
CID 61220010
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[(2-methylquinolin-4-yl)amino]benzamide
CID 58958075

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylquinolin-4-yl)amino]benzamide?
The IUPAC name of 3-[(2-methylquinolin-4-yl)amino]benzamide (CID 90862215) is 3-[(2-methylquinolin-4-yl)amino]benzamide.
What is the SMILES notation for 3-[(2-methylquinolin-4-yl)amino]benzamide?
The canonical SMILES for 3-[(2-methylquinolin-4-yl)amino]benzamide is Cc1cc(Nc2cccc(C(N)=O)c2)c2ccccc2n1.
What is the InChIKey of 3-[(2-methylquinolin-4-yl)amino]benzamide?
The InChIKey is VIYYAYPHDVWUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-9-16(14-7-2-3-8-15(14)19-11)20-13-6-4-5-12(10-13)17(18)21/h2-10H,1H3,(H2,18,21)(H,19,20).
What are the key properties of 3-[(2-methylquinolin-4-yl)amino]benzamide?
3-[(2-methylquinolin-4-yl)amino]benzamide has a molecular weight of 277.33 g/mol, XLogP of 3.39, 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]benzamide is sourced from PubChem (CID 90862215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).