N-(4-amino-2-methylquinolin-6-yl)-2-[2-(4-methylphenyl)ethyl]benzamide

C26H25N3O — CID 10715725

IUPACN-(4-amino-2-methylquinolin-6-yl)-2-[2-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(CCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
InChIInChI=1S/C26H25N3O/c1-17-7-9-19(10-8-17)11-12-20-5-3-4-6-22(20)26(30)29-21-13-14-25-23(16-21)24(27)15-18(2)28-25/h3-10,13-16H,11-12H2,1-2H3,(H2,27,28)(H,29,30)
InChIKeyIHEWDSLCCFRZFU-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.47
Rot. Bonds5

About N-(4-amino-2-methylquinolin-6-yl)-2-[2-(4-methylphenyl)ethyl]benzamide

N-(4-amino-2-methylquinolin-6-yl)-2-[2-(4-methylphenyl)ethyl]benzamide (PubChem CID 10715725) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is N-(4-amino-2-methylquinolin-6-yl)-2-[2-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylquinolin-6-yl)-2-[2-(4-methylphenyl)ethyl]benzamide
PubChem CID10715725
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC NameN-(4-amino-2-methylquinolin-6-yl)-2-[2-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(CCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
InChIInChI=1S/C26H25N3O/c1-17-7-9-19(10-8-17)11-12-20-5-3-4-6-22(20)26(30)29-21-13-14-25-23(16-21)24(27)15-18(2)28-25/h3-10,13-16H,11-12H2,1-2H3,(H2,27,28)(H,29,30)
InChIKeyIHEWDSLCCFRZFU-UHFFFAOYSA-N
XLogP5.47
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-2-[2-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-2-[2-(4-methylphenyl)ethyl]benzamide (CID 10715725) is N-(4-amino-2-methylquinolin-6-yl)-2-[2-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for N-(4-amino-2-methylquinolin-6-yl)-2-[2-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for N-(4-amino-2-methylquinolin-6-yl)-2-[2-(4-methylphenyl)ethyl]benzamide is Cc1ccc(CCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1.
What is the InChIKey of N-(4-amino-2-methylquinolin-6-yl)-2-[2-(4-methylphenyl)ethyl]benzamide?
The InChIKey is IHEWDSLCCFRZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-17-7-9-19(10-8-17)11-12-20-5-3-4-6-22(20)26(30)29-21-13-14-25-23(16-21)24(27)15-18(2)28-25/h3-10,13-16H,11-12H2,1-2H3,(H2,27,28)(H,29,30).
What are the key properties of N-(4-amino-2-methylquinolin-6-yl)-2-[2-(4-methylphenyl)ethyl]benzamide?
N-(4-amino-2-methylquinolin-6-yl)-2-[2-(4-methylphenyl)ethyl]benzamide has a molecular weight of 395.51 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylquinolin-6-yl)-2-[2-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 10715725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).