2-(6-bromoquinazolin-4-yl)oxy-N-[(2S)-butan-2-yl]acetamide

C14H16BrN3O2 — CID 7993762

IUPAC2-(6-bromoquinazolin-4-yl)oxy-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)COc1ncnc2ccc(Br)cc12
InChIInChI=1S/C14H16BrN3O2/c1-3-9(2)18-13(19)7-20-14-11-6-10(15)4-5-12(11)16-8-17-14/h4-6,8-9H,3,7H2,1-2H3,(H,18,19)/t9-/m0/s1
InChIKeyRTEYBRFHSCYXJM-VIFPVBQESA-N
MW338.21 g/mol
LogP2.69
Rot. Bonds5

About 2-(6-bromoquinazolin-4-yl)oxy-N-[(2S)-butan-2-yl]acetamide

2-(6-bromoquinazolin-4-yl)oxy-N-[(2S)-butan-2-yl]acetamide (PubChem CID 7993762) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-(6-bromoquinazolin-4-yl)oxy-N-[(2S)-butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(6-bromoquinazolin-4-yl)oxy-N-[(2S)-butan-2-yl]acetamide
PubChem CID7993762
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name2-(6-bromoquinazolin-4-yl)oxy-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)COc1ncnc2ccc(Br)cc12
InChIInChI=1S/C14H16BrN3O2/c1-3-9(2)18-13(19)7-20-14-11-6-10(15)4-5-12(11)16-8-17-14/h4-6,8-9H,3,7H2,1-2H3,(H,18,19)/t9-/m0/s1
InChIKeyRTEYBRFHSCYXJM-VIFPVBQESA-N
XLogP2.69
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromoquinazolin-4-yl)oxy-N-(3,4-dimethylphenyl)acetamide
CID 4792649
2-(6-bromoquinazolin-4-yl)oxy-N-(2,3-dimethylphenyl)acetamide
CID 2576960
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
methyl 3-[[2-(6-bromoquinazolin-4-yl)oxyacetyl]amino]benzoate
CID 55321531
2-(6-bromoquinazolin-4-yl)oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2573004
2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide
CID 102946716
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-butan-2-ylacetamide
CID 43083056
2-(6-bromoquinazolin-4-yl)oxy-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 55321416
2-(6-bromoquinazolin-4-yl)oxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 4969535
2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide
CID 43277522
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7950545

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoquinazolin-4-yl)oxy-N-[(2S)-butan-2-yl]acetamide?
The IUPAC name of 2-(6-bromoquinazolin-4-yl)oxy-N-[(2S)-butan-2-yl]acetamide (CID 7993762) is 2-(6-bromoquinazolin-4-yl)oxy-N-[(2S)-butan-2-yl]acetamide.
What is the SMILES notation for 2-(6-bromoquinazolin-4-yl)oxy-N-[(2S)-butan-2-yl]acetamide?
The canonical SMILES for 2-(6-bromoquinazolin-4-yl)oxy-N-[(2S)-butan-2-yl]acetamide is CC[C@H](C)NC(=O)COc1ncnc2ccc(Br)cc12.
What is the InChIKey of 2-(6-bromoquinazolin-4-yl)oxy-N-[(2S)-butan-2-yl]acetamide?
The InChIKey is RTEYBRFHSCYXJM-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-3-9(2)18-13(19)7-20-14-11-6-10(15)4-5-12(11)16-8-17-14/h4-6,8-9H,3,7H2,1-2H3,(H,18,19)/t9-/m0/s1.
What are the key properties of 2-(6-bromoquinazolin-4-yl)oxy-N-[(2S)-butan-2-yl]acetamide?
2-(6-bromoquinazolin-4-yl)oxy-N-[(2S)-butan-2-yl]acetamide has a molecular weight of 338.21 g/mol, XLogP of 2.69, 5 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)oxy-N-[(2S)-butan-2-yl]acetamide is sourced from PubChem (CID 7993762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).