2-[(6-bromoquinazolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

C20H21BrN4O — CID 86946093

IUPAC2-[(6-bromoquinazolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)c2ncnc3ccc(Br)cc23)c(C)c1
InChIInChI=1S/C20H21BrN4O/c1-12-7-13(2)19(14(3)8-12)24-18(26)10-25(4)20-16-9-15(21)5-6-17(16)22-11-23-20/h5-9,11H,10H2,1-4H3,(H,24,26)
InChIKeyFTYLJSBCLYPRBF-UHFFFAOYSA-N
MW413.32 g/mol
LogP4.39
Rot. Bonds4

About 2-[(6-bromoquinazolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

2-[(6-bromoquinazolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 86946093) has the molecular formula C20H21BrN4O and a molecular weight of 413.32 g/mol. Its IUPAC name is 2-[(6-bromoquinazolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-bromoquinazolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID86946093
Molecular FormulaC20H21BrN4O
Molecular Weight413.32 g/mol
Exact Mass412.09
IUPAC Name2-[(6-bromoquinazolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)c2ncnc3ccc(Br)cc23)c(C)c1
InChIInChI=1S/C20H21BrN4O/c1-12-7-13(2)19(14(3)8-12)24-18(26)10-25(4)20-16-9-15(21)5-6-17(16)22-11-23-20/h5-9,11H,10H2,1-4H3,(H,24,26)
InChIKeyFTYLJSBCLYPRBF-UHFFFAOYSA-N
XLogP4.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-[(6-fluoroquinazolin-4-yl)-methylamino]acetamide
CID 78901541
2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 47005278
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 55512357
2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 133339048
N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437347
N-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437356
2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9196076
N-(3-acetylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437365
3-[(6-bromoquinazolin-4-yl)-methylamino]propanenitrile
CID 133370502
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
ethyl 5-methyl-4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 26455008
N-(4-bromo-2-methylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 26454367

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromoquinazolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[(6-bromoquinazolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 86946093) is 2-[(6-bromoquinazolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[(6-bromoquinazolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[(6-bromoquinazolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)c2ncnc3ccc(Br)cc23)c(C)c1.
What is the InChIKey of 2-[(6-bromoquinazolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is FTYLJSBCLYPRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O/c1-12-7-13(2)19(14(3)8-12)24-18(26)10-25(4)20-16-9-15(21)5-6-17(16)22-11-23-20/h5-9,11H,10H2,1-4H3,(H,24,26).
What are the key properties of 2-[(6-bromoquinazolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[(6-bromoquinazolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 413.32 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromoquinazolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 86946093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).