4-[[4-methyl-7-(2-methylphenyl)quinolin-2-yl]amino]benzenecarboximidamide

C24H22N4 — CID 21250249

IUPAC4-[[4-methyl-7-(2-methylphenyl)quinolin-2-yl]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Nc2cc(C)c3ccc(-c4ccccc4C)cc3n2)cc1
InChIInChI=1S/C24H22N4/c1-15-5-3-4-6-20(15)18-9-12-21-16(2)13-23(28-22(21)14-18)27-19-10-7-17(8-11-19)24(25)26/h3-14H,1-2H3,(H3,25,26)(H,27,28)
InChIKeyBOCKSIHTPVVLBQ-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.55
Rot. Bonds4

About 4-[[4-methyl-7-(2-methylphenyl)quinolin-2-yl]amino]benzenecarboximidamide

4-[[4-methyl-7-(2-methylphenyl)quinolin-2-yl]amino]benzenecarboximidamide (PubChem CID 21250249) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-[[4-methyl-7-(2-methylphenyl)quinolin-2-yl]amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[4-methyl-7-(2-methylphenyl)quinolin-2-yl]amino]benzenecarboximidamide
PubChem CID21250249
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name4-[[4-methyl-7-(2-methylphenyl)quinolin-2-yl]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Nc2cc(C)c3ccc(-c4ccccc4C)cc3n2)cc1
InChIInChI=1S/C24H22N4/c1-15-5-3-4-6-20(15)18-9-12-21-16(2)13-23(28-22(21)14-18)27-19-10-7-17(8-11-19)24(25)26/h3-14H,1-2H3,(H3,25,26)(H,27,28)
InChIKeyBOCKSIHTPVVLBQ-UHFFFAOYSA-N
XLogP5.55
TPSA74.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.55
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'}

Analyze 4-[[4-methyl-7-(2-methylphenyl)quinolin-2-yl]amino]benzenecarboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-7-(2-methylphenyl)quinolin-2-yl]amino]benzenecarboximidamide?
The IUPAC name of 4-[[4-methyl-7-(2-methylphenyl)quinolin-2-yl]amino]benzenecarboximidamide (CID 21250249) is 4-[[4-methyl-7-(2-methylphenyl)quinolin-2-yl]amino]benzenecarboximidamide.
What is the SMILES notation for 4-[[4-methyl-7-(2-methylphenyl)quinolin-2-yl]amino]benzenecarboximidamide?
The canonical SMILES for 4-[[4-methyl-7-(2-methylphenyl)quinolin-2-yl]amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Nc2cc(C)c3ccc(-c4ccccc4C)cc3n2)cc1.
What is the InChIKey of 4-[[4-methyl-7-(2-methylphenyl)quinolin-2-yl]amino]benzenecarboximidamide?
The InChIKey is BOCKSIHTPVVLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-15-5-3-4-6-20(15)18-9-12-21-16(2)13-23(28-22(21)14-18)27-19-10-7-17(8-11-19)24(25)26/h3-14H,1-2H3,(H3,25,26)(H,27,28).
What are the key properties of 4-[[4-methyl-7-(2-methylphenyl)quinolin-2-yl]amino]benzenecarboximidamide?
4-[[4-methyl-7-(2-methylphenyl)quinolin-2-yl]amino]benzenecarboximidamide has a molecular weight of 366.47 g/mol, XLogP of 5.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-7-(2-methylphenyl)quinolin-2-yl]amino]benzenecarboximidamide is sourced from PubChem (CID 21250249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).