N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide

C20H18BrN3O3 — CID 55755064

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)c1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C20H18BrN3O3/c1-23(12-18(25)22-16-9-5-4-8-15(16)21)20(27)14-11-19(26)24(2)17-10-6-3-7-13(14)17/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyJEANSVIPMPPPBE-UHFFFAOYSA-N
MW428.29 g/mol
LogP3.01
Rot. Bonds4

About N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide

N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide (PubChem CID 55755064) has the molecular formula C20H18BrN3O3 and a molecular weight of 428.29 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide
PubChem CID55755064
Molecular FormulaC20H18BrN3O3
Molecular Weight428.29 g/mol
Exact Mass427.05
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)c1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C20H18BrN3O3/c1-23(12-18(25)22-16-9-5-4-8-15(16)21)20(27)14-11-19(26)24(2)17-10-6-3-7-13(14)17/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyJEANSVIPMPPPBE-UHFFFAOYSA-N
XLogP3.01
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-oxoquinoline-4-carboxamide
CID 55759592
N-ethyl-1-methyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide
CID 55755141
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide
CID 55755026
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51554035
N-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
CID 113211482
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-3,5-dinitrobenzamide
CID 26896533
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27800522
N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide
CID 78772998

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide (CID 55755064) is N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide is CN(CC(=O)Nc1ccccc1Br)C(=O)c1cc(=O)n(C)c2ccccc12.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide?
The InChIKey is JEANSVIPMPPPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O3/c1-23(12-18(25)22-16-9-5-4-8-15(16)21)20(27)14-11-19(26)24(2)17-10-6-3-7-13(14)17/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide has a molecular weight of 428.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55755064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).