N-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide

C17H13BrN2O3 — CID 43831869

IUPACN-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)Nc3ccc(Br)cc3)c(=O)c2c1
InChIInChI=1S/C17H13BrN2O3/c1-23-12-6-7-15-13(8-12)16(21)14(9-19-15)17(22)20-11-4-2-10(18)3-5-11/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyDXEMZVKQIMNTEH-UHFFFAOYSA-N
MW373.21 g/mol
LogP3.55
Rot. Bonds3

About N-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide

N-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 43831869) has the molecular formula C17H13BrN2O3 and a molecular weight of 373.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
PubChem CID43831869
Molecular FormulaC17H13BrN2O3
Molecular Weight373.21 g/mol
Exact Mass372.01
IUPAC NameN-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)Nc3ccc(Br)cc3)c(=O)c2c1
InChIInChI=1S/C17H13BrN2O3/c1-23-12-6-7-15-13(8-12)16(21)14(9-19-15)17(22)20-11-4-2-10(18)3-5-11/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyDXEMZVKQIMNTEH-UHFFFAOYSA-N
XLogP3.55
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-(4-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 43831865
5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide
CID 113206039
6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 95233454
N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063
6-methoxy-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide
CID 43831697
N-(4-bromophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209668
N-(2,3-dimethylphenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43832057
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
N-(3,4-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206123
6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
5-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113206118

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide (CID 43831869) is N-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide is COc1ccc2[nH]cc(C(=O)Nc3ccc(Br)cc3)c(=O)c2c1.
What is the InChIKey of N-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is DXEMZVKQIMNTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O3/c1-23-12-6-7-15-13(8-12)16(21)14(9-19-15)17(22)20-11-4-2-10(18)3-5-11/h2-9H,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide?
N-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 373.21 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 43831869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).