7-bromo-5-chloro-N-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide

C14H14BrClN2O2 — CID 170310951

IUPAC7-bromo-5-chloro-N-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide
SMILESCNC(=O)c1cc(=O)c2c(Cl)cc(Br)cc2n1C(C)C
InChIInChI=1S/C14H14BrClN2O2/c1-7(2)18-10-5-8(15)4-9(16)13(10)12(19)6-11(18)14(20)17-3/h4-7H,1-3H3,(H,17,20)
InChIKeyWVATVMCPPFZLNF-UHFFFAOYSA-N
MW357.64 g/mol
LogP3.36
Rot. Bonds2

About 7-bromo-5-chloro-N-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide

7-bromo-5-chloro-N-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide (PubChem CID 170310951) has the molecular formula C14H14BrClN2O2 and a molecular weight of 357.64 g/mol. Its IUPAC name is 7-bromo-5-chloro-N-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide.

Molecular Properties

Compound Name7-bromo-5-chloro-N-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide
PubChem CID170310951
Molecular FormulaC14H14BrClN2O2
Molecular Weight357.64 g/mol
Exact Mass355.99
IUPAC Name7-bromo-5-chloro-N-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide
SMILESCNC(=O)c1cc(=O)c2c(Cl)cc(Br)cc2n1C(C)C
InChIInChI=1S/C14H14BrClN2O2/c1-7(2)18-10-5-8(15)4-9(16)13(10)12(19)6-11(18)14(20)17-3/h4-7H,1-3H3,(H,17,20)
InChIKeyWVATVMCPPFZLNF-UHFFFAOYSA-N
XLogP3.36
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(methylcarbamoyl)-4-oxo-1-propan-2-ylquinolin-7-yl]boronic acid
CID 175956251
4-bromo-2,6-dichloro-N-methylbenzamide
CID 170992492
5-chloro-8-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxylic acid
CID 82248933
6-chloro-5-(methylcarbamoyl)-1-propan-2-ylbenzimidazole-2-carboxylic acid
CID 112757013
6-bromo-3-formyl-2-methyl-1-propan-2-ylindole-4-carboxylic acid
CID 172862007
4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 60639898
6-bromo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one
CID 134228664
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
N,3-dimethyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide
CID 176548686
2-bromo-3-chloro-N-methylbenzamide
CID 69377341
5-bromo-3-chloro-2-methylbenzoyl chloride
CID 171032785

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-N-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide?
The IUPAC name of 7-bromo-5-chloro-N-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide (CID 170310951) is 7-bromo-5-chloro-N-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide.
What is the SMILES notation for 7-bromo-5-chloro-N-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide?
The canonical SMILES for 7-bromo-5-chloro-N-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide is CNC(=O)c1cc(=O)c2c(Cl)cc(Br)cc2n1C(C)C.
What is the InChIKey of 7-bromo-5-chloro-N-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide?
The InChIKey is WVATVMCPPFZLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2/c1-7(2)18-10-5-8(15)4-9(16)13(10)12(19)6-11(18)14(20)17-3/h4-7H,1-3H3,(H,17,20).
What are the key properties of 7-bromo-5-chloro-N-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide?
7-bromo-5-chloro-N-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide has a molecular weight of 357.64 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-N-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide is sourced from PubChem (CID 170310951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).