N-(4-bromo-2-ethylquinazolin-6-yl)acetamide

C12H12BrN3O — CID 106584212

IUPACN-(4-bromo-2-ethylquinazolin-6-yl)acetamide
SMILESCCc1nc(Br)c2cc(NC(C)=O)ccc2n1
InChIInChI=1S/C12H12BrN3O/c1-3-11-15-10-5-4-8(14-7(2)17)6-9(10)12(13)16-11/h4-6H,3H2,1-2H3,(H,14,17)
InChIKeyQHCMSVRNSQKIID-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.91
Rot. Bonds2

About N-(4-bromo-2-ethylquinazolin-6-yl)acetamide

N-(4-bromo-2-ethylquinazolin-6-yl)acetamide (PubChem CID 106584212) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is N-(4-bromo-2-ethylquinazolin-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylquinazolin-6-yl)acetamide
PubChem CID106584212
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC NameN-(4-bromo-2-ethylquinazolin-6-yl)acetamide
SMILESCCc1nc(Br)c2cc(NC(C)=O)ccc2n1
InChIInChI=1S/C12H12BrN3O/c1-3-11-15-10-5-4-8(14-7(2)17)6-9(10)12(13)16-11/h4-6H,3H2,1-2H3,(H,14,17)
InChIKeyQHCMSVRNSQKIID-UHFFFAOYSA-N
XLogP2.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-acetamido-4-methylquinolin-2-yl)acetic acid
CID 82574932
N-(3-bromoquinolin-6-yl)acetamide
CID 15378467
N-(4-chloro-1-ethylpyrazolo[3,4-b]quinolin-6-yl)acetamide
CID 21217689
7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 18073631
6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 18073438
N-(4-ethyl-3-sulfanylphenyl)acetamide
CID 130011196
N-(2-acetamido-1,3-benzoxazol-6-yl)acetamide
CID 952763
N-(5-methylindolo[3,2-b]quinolin-7-yl)acetamide
CID 15907594
N-[4-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17172091
2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]acetic acid
CID 653086
N-[3-butyl-2-(2-chlorophenyl)-4-oxoquinazolin-6-yl]acetamide
CID 11773088
N-(2,6-diacetamido-4-pyridinyl)acetamide
CID 69088952

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylquinazolin-6-yl)acetamide?
The IUPAC name of N-(4-bromo-2-ethylquinazolin-6-yl)acetamide (CID 106584212) is N-(4-bromo-2-ethylquinazolin-6-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-ethylquinazolin-6-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-ethylquinazolin-6-yl)acetamide is CCc1nc(Br)c2cc(NC(C)=O)ccc2n1.
What is the InChIKey of N-(4-bromo-2-ethylquinazolin-6-yl)acetamide?
The InChIKey is QHCMSVRNSQKIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-3-11-15-10-5-4-8(14-7(2)17)6-9(10)12(13)16-11/h4-6H,3H2,1-2H3,(H,14,17).
What are the key properties of N-(4-bromo-2-ethylquinazolin-6-yl)acetamide?
N-(4-bromo-2-ethylquinazolin-6-yl)acetamide has a molecular weight of 294.15 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylquinazolin-6-yl)acetamide is sourced from PubChem (CID 106584212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).