N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide

C18H15BrN2O2 — CID 100736190

IUPACN-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)c2cc(Br)ccc21)NCc1ccccc1
InChIInChI=1S/C18H15BrN2O2/c19-14-6-7-16-15(10-14)17(22)8-9-21(16)12-18(23)20-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,20,23)
InChIKeyWCZGIKFBXHKXMI-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.08
Rot. Bonds4

About N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide

N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide (PubChem CID 100736190) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide
PubChem CID100736190
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC NameN-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)c2cc(Br)ccc21)NCc1ccccc1
InChIInChI=1S/C18H15BrN2O2/c19-14-6-7-16-15(10-14)17(22)8-9-21(16)12-18(23)20-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,20,23)
InChIKeyWCZGIKFBXHKXMI-UHFFFAOYSA-N
XLogP3.08
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide
CID 100736017
2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 100739658
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-bromoquinolin-4-one
CID 100737310
2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide
CID 100779672
2-(6-bromo-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 100737481
2-(6-bromo-4-oxoquinolin-1-yl)-N-cyclooctylacetamide
CID 100737684
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
2-(6-bromo-4-oxoquinolin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 100736460
2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100736482
2-(5-aminoindol-1-yl)-N-benzylacetamide
CID 43342948
2-(6-chloro-4-oxoquinolin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 100734816
2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 100734852

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide (CID 100736190) is N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide is O=C(Cn1ccc(=O)c2cc(Br)ccc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide?
The InChIKey is WCZGIKFBXHKXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c19-14-6-7-16-15(10-14)17(22)8-9-21(16)12-18(23)20-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,20,23).
What are the key properties of N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide?
N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide has a molecular weight of 371.23 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 100736190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).