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

C19H17BrN2O2 — CID 1418363

IUPACN-benzyl-2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetamide
SMILESCc1cc(=O)c2cc(Br)ccc2n1CC(=O)NCc1ccccc1
InChIInChI=1S/C19H17BrN2O2/c1-13-9-18(23)16-10-15(20)7-8-17(16)22(13)12-19(24)21-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,21,24)
InChIKeyNXPYFAGFAICPQQ-UHFFFAOYSA-N
MW385.26 g/mol
LogP3.39
Rot. Bonds4

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

N-benzyl-2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetamide (PubChem CID 1418363) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is N-benzyl-2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetamide
PubChem CID1418363
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC NameN-benzyl-2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetamide
SMILESCc1cc(=O)c2cc(Br)ccc2n1CC(=O)NCc1ccccc1
InChIInChI=1S/C19H17BrN2O2/c1-13-9-18(23)16-10-15(20)7-8-17(16)22(13)12-19(24)21-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,21,24)
InChIKeyNXPYFAGFAICPQQ-UHFFFAOYSA-N
XLogP3.39
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetamide (CID 1418363) is N-benzyl-2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetamide is Cc1cc(=O)c2cc(Br)ccc2n1CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetamide?
The InChIKey is NXPYFAGFAICPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c1-13-9-18(23)16-10-15(20)7-8-17(16)22(13)12-19(24)21-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,21,24).
What are the key properties of N-benzyl-2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetamide?
N-benzyl-2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetamide has a molecular weight of 385.26 g/mol, XLogP of 3.39, 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-2-methyl-4-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 1418363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).