4-[(7-bromo-4-methylquinolin-2-yl)amino]benzenecarboximidamide

C17H15BrN4 — CID 21250257

IUPAC4-[(7-bromo-4-methylquinolin-2-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Nc2cc(C)c3ccc(Br)cc3n2)cc1
InChIInChI=1S/C17H15BrN4/c1-10-8-16(22-15-9-12(18)4-7-14(10)15)21-13-5-2-11(3-6-13)17(19)20/h2-9H,1H3,(H3,19,20)(H,21,22)
InChIKeyINKQWXJBBJTDCH-UHFFFAOYSA-N
MW355.24 g/mol
LogP4.33
Rot. Bonds3

About 4-[(7-bromo-4-methylquinolin-2-yl)amino]benzenecarboximidamide

4-[(7-bromo-4-methylquinolin-2-yl)amino]benzenecarboximidamide (PubChem CID 21250257) has the molecular formula C17H15BrN4 and a molecular weight of 355.24 g/mol. Its IUPAC name is 4-[(7-bromo-4-methylquinolin-2-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(7-bromo-4-methylquinolin-2-yl)amino]benzenecarboximidamide
PubChem CID21250257
Molecular FormulaC17H15BrN4
Molecular Weight355.24 g/mol
Exact Mass354.05
IUPAC Name4-[(7-bromo-4-methylquinolin-2-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Nc2cc(C)c3ccc(Br)cc3n2)cc1
InChIInChI=1S/C17H15BrN4/c1-10-8-16(22-15-9-12(18)4-7-14(10)15)21-13-5-2-11(3-6-13)17(19)20/h2-9H,1H3,(H3,19,20)(H,21,22)
InChIKeyINKQWXJBBJTDCH-UHFFFAOYSA-N
XLogP4.33
TPSA74.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-bromo-4-methylquinolin-2-yl)amino]benzenecarboximidamide?
The IUPAC name of 4-[(7-bromo-4-methylquinolin-2-yl)amino]benzenecarboximidamide (CID 21250257) is 4-[(7-bromo-4-methylquinolin-2-yl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-[(7-bromo-4-methylquinolin-2-yl)amino]benzenecarboximidamide?
The canonical SMILES for 4-[(7-bromo-4-methylquinolin-2-yl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Nc2cc(C)c3ccc(Br)cc3n2)cc1.
What is the InChIKey of 4-[(7-bromo-4-methylquinolin-2-yl)amino]benzenecarboximidamide?
The InChIKey is INKQWXJBBJTDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4/c1-10-8-16(22-15-9-12(18)4-7-14(10)15)21-13-5-2-11(3-6-13)17(19)20/h2-9H,1H3,(H3,19,20)(H,21,22).
What are the key properties of 4-[(7-bromo-4-methylquinolin-2-yl)amino]benzenecarboximidamide?
4-[(7-bromo-4-methylquinolin-2-yl)amino]benzenecarboximidamide has a molecular weight of 355.24 g/mol, XLogP of 4.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-bromo-4-methylquinolin-2-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 21250257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).