N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide

C17H13BrN2O2 — CID 1119287

IUPACN-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide
SMILESCC(=O)Nc1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C17H13BrN2O2/c1-10(21)19-16-15(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)20-17(16)22/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeySKDKZRAETFXDIK-UHFFFAOYSA-N
MW357.21 g/mol
LogP3.92
Rot. Bonds2

About N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide

N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide (PubChem CID 1119287) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide
PubChem CID1119287
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC NameN-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide
SMILESCC(=O)Nc1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C17H13BrN2O2/c1-10(21)19-16-15(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)20-17(16)22/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeySKDKZRAETFXDIK-UHFFFAOYSA-N
XLogP3.92
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide?
The IUPAC name of N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide (CID 1119287) is N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide.
What is the SMILES notation for N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide?
The canonical SMILES for N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide is CC(=O)Nc1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O.
What is the InChIKey of N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide?
The InChIKey is SKDKZRAETFXDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c1-10(21)19-16-15(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)20-17(16)22/h2-9H,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide?
N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide has a molecular weight of 357.21 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide is sourced from PubChem (CID 1119287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).