2-bromo-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide

C21H22BrN3O — CID 46364151

IUPAC2-bromo-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide
SMILESCCN(CC)c1cc(C)c2cc(NC(=O)c3ccccc3Br)ccc2n1
InChIInChI=1S/C21H22BrN3O/c1-4-25(5-2)20-12-14(3)17-13-15(10-11-19(17)24-20)23-21(26)16-8-6-7-9-18(16)22/h6-13H,4-5H2,1-3H3,(H,23,26)
InChIKeyOCDHASWRTLDBMD-UHFFFAOYSA-N
MW412.33 g/mol
LogP5.40
Rot. Bonds5

About 2-bromo-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide

2-bromo-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide (PubChem CID 46364151) has the molecular formula C21H22BrN3O and a molecular weight of 412.33 g/mol. Its IUPAC name is 2-bromo-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide
PubChem CID46364151
Molecular FormulaC21H22BrN3O
Molecular Weight412.33 g/mol
Exact Mass411.09
IUPAC Name2-bromo-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide
SMILESCCN(CC)c1cc(C)c2cc(NC(=O)c3ccccc3Br)ccc2n1
InChIInChI=1S/C21H22BrN3O/c1-4-25(5-2)20-12-14(3)17-13-15(10-11-19(17)24-20)23-21(26)16-8-6-7-9-18(16)22/h6-13H,4-5H2,1-3H3,(H,23,26)
InChIKeyOCDHASWRTLDBMD-UHFFFAOYSA-N
XLogP5.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.33
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-4-methylquinolin-6-yl]-2-fluorobenzamide
CID 24762045
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(dimethylamino)benzamide
CID 46364150
N-[2-(diethylamino)-4-methylquinolin-6-yl]-2-(4-methylphenyl)acetamide
CID 122174559
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587
2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837189
2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219663
2-bromo-N-naphthalen-2-ylbenzamide
CID 4259663
2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 1303320
2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1015438
2-bromo-N-(3-methyl-4-sulfamoylphenyl)benzamide
CID 43134004

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide?
The IUPAC name of 2-bromo-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide (CID 46364151) is 2-bromo-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide is CCN(CC)c1cc(C)c2cc(NC(=O)c3ccccc3Br)ccc2n1.
What is the InChIKey of 2-bromo-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide?
The InChIKey is OCDHASWRTLDBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O/c1-4-25(5-2)20-12-14(3)17-13-15(10-11-19(17)24-20)23-21(26)16-8-6-7-9-18(16)22/h6-13H,4-5H2,1-3H3,(H,23,26).
What are the key properties of 2-bromo-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide?
2-bromo-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide has a molecular weight of 412.33 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide is sourced from PubChem (CID 46364151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).