2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide

C14H16BrN3O2 — CID 7886608

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)Cn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C14H16BrN3O2/c1-14(2,3)17-12(19)7-18-8-16-11-5-4-9(15)6-10(11)13(18)20/h4-6,8H,7H2,1-3H3,(H,17,19)
InChIKeyIAKITPBGNDABEN-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.07
Rot. Bonds2

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide (PubChem CID 7886608) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
PubChem CID7886608
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)Cn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C14H16BrN3O2/c1-14(2,3)17-12(19)7-18-8-16-11-5-4-9(15)6-10(11)13(18)20/h4-6,8H,7H2,1-3H3,(H,17,19)
InChIKeyIAKITPBGNDABEN-UHFFFAOYSA-N
XLogP2.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
CID 119606569
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 51196190
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7886626
N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 120507203
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55379236
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 55379284
N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
CID 119496250
methyl 2-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]-2-methylpropanoate
CID 43074401

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide (CID 7886608) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide is CC(C)(C)NC(=O)Cn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide?
The InChIKey is IAKITPBGNDABEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-14(2,3)17-12(19)7-18-8-16-11-5-4-9(15)6-10(11)13(18)20/h4-6,8H,7H2,1-3H3,(H,17,19).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide has a molecular weight of 338.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide is sourced from PubChem (CID 7886608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).