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

C17H15N3O — CID 69135546

IUPAC2-amino-3-(2-methylquinolin-4-yl)benzamide
SMILESCc1cc(-c2cccc(C(N)=O)c2N)c2ccccc2n1
InChIInChI=1S/C17H15N3O/c1-10-9-14(11-5-2-3-8-15(11)20-10)12-6-4-7-13(16(12)18)17(19)21/h2-9H,18H2,1H3,(H2,19,21)
InChIKeyVVYYQTVOXDJUKO-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.89
Rot. Bonds2

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

2-amino-3-(2-methylquinolin-4-yl)benzamide (PubChem CID 69135546) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-amino-3-(2-methylquinolin-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-(2-methylquinolin-4-yl)benzamide
PubChem CID69135546
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-amino-3-(2-methylquinolin-4-yl)benzamide
SMILESCc1cc(-c2cccc(C(N)=O)c2N)c2ccccc2n1
InChIInChI=1S/C17H15N3O/c1-10-9-14(11-5-2-3-8-15(11)20-10)12-6-4-7-13(16(12)18)17(19)21/h2-9H,18H2,1H3,(H2,19,21)
InChIKeyVVYYQTVOXDJUKO-UHFFFAOYSA-N
XLogP2.89
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide
CID 54284404
4-(2-methylquinolin-4-yl)-1H-pyrrole-3-carboxylic acid
CID 79235289
2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide
CID 53319759
2-methyl-4-(2-phenylphenyl)quinoline-6-carboxamide
CID 167445709
3-[(2-methylquinolin-4-yl)amino]benzamide
CID 90862215
10-aminoanthracene-1-carboxamide
CID 23131366
2-methylquinolin-4-amine
CID 162035180
2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid
CID 155909496
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
ethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate
CID 115586995
CID 129133768
CID 129133768
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide
CID 61121065

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methylquinolin-4-yl)benzamide?
The IUPAC name of 2-amino-3-(2-methylquinolin-4-yl)benzamide (CID 69135546) is 2-amino-3-(2-methylquinolin-4-yl)benzamide.
What is the SMILES notation for 2-amino-3-(2-methylquinolin-4-yl)benzamide?
The canonical SMILES for 2-amino-3-(2-methylquinolin-4-yl)benzamide is Cc1cc(-c2cccc(C(N)=O)c2N)c2ccccc2n1.
What is the InChIKey of 2-amino-3-(2-methylquinolin-4-yl)benzamide?
The InChIKey is VVYYQTVOXDJUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-10-9-14(11-5-2-3-8-15(11)20-10)12-6-4-7-13(16(12)18)17(19)21/h2-9H,18H2,1H3,(H2,19,21).
What are the key properties of 2-amino-3-(2-methylquinolin-4-yl)benzamide?
2-amino-3-(2-methylquinolin-4-yl)benzamide has a molecular weight of 277.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methylquinolin-4-yl)benzamide is sourced from PubChem (CID 69135546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).