N-(3-bromophenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide

C17H12BrClN2O2 — CID 43831943

IUPACN-(3-bromophenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(Br)c2)c(=O)c2cccc(Cl)c21
InChIInChI=1S/C17H12BrClN2O2/c1-21-9-13(16(22)12-6-3-7-14(19)15(12)21)17(23)20-11-5-2-4-10(18)8-11/h2-9H,1H3,(H,20,23)
InChIKeyBIWDTILYPOYGGH-UHFFFAOYSA-N
MW391.65 g/mol
LogP4.21
Rot. Bonds2

About N-(3-bromophenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide

N-(3-bromophenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 43831943) has the molecular formula C17H12BrClN2O2 and a molecular weight of 391.65 g/mol. Its IUPAC name is N-(3-bromophenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID43831943
Molecular FormulaC17H12BrClN2O2
Molecular Weight391.65 g/mol
Exact Mass389.98
IUPAC NameN-(3-bromophenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(Br)c2)c(=O)c2cccc(Cl)c21
InChIInChI=1S/C17H12BrClN2O2/c1-21-9-13(16(22)12-6-3-7-14(19)15(12)21)17(23)20-11-5-2-4-10(18)8-11/h2-9H,1H3,(H,20,23)
InChIKeyBIWDTILYPOYGGH-UHFFFAOYSA-N
XLogP4.21
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.65
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-N-(3-methoxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 43831924
8-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 43831923
N-(4-acetylphenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide
CID 43831914
N-(3-bromophenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 39851504
4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502
N-(3-chloro-2-methylphenyl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 43832131
3-acetyl-8-bromo-1-methylquinolin-4-one
CID 86732744
1-methyl-N-(3-methylsulfanylphenyl)-4-oxoquinoline-3-carboxamide
CID 30131737
N-(3-bromophenyl)-2-chloro-4-fluorobenzamide
CID 24699810
N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831968
3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide
CID 56851222
N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide
CID 55834573

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide (CID 43831943) is N-(3-bromophenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide is Cn1cc(C(=O)Nc2cccc(Br)c2)c(=O)c2cccc(Cl)c21.
What is the InChIKey of N-(3-bromophenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is BIWDTILYPOYGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClN2O2/c1-21-9-13(16(22)12-6-3-7-14(19)15(12)21)17(23)20-11-5-2-4-10(18)8-11/h2-9H,1H3,(H,20,23).
What are the key properties of N-(3-bromophenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide?
N-(3-bromophenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 391.65 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 43831943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).