4-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N,N-dimethylbenzamide

C19H17BrClN3O — CID 133436485

IUPAC4-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CNc2ccc3cc(Br)cc(Cl)c3n2)cc1
InChIInChI=1S/C19H17BrClN3O/c1-24(2)19(25)13-5-3-12(4-6-13)11-22-17-8-7-14-9-15(20)10-16(21)18(14)23-17/h3-10H,11H2,1-2H3,(H,22,23)
InChIKeyMOGBSTVKCFWXPU-UHFFFAOYSA-N
MW418.72 g/mol
LogP4.96
Rot. Bonds4

About 4-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N,N-dimethylbenzamide

4-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N,N-dimethylbenzamide (PubChem CID 133436485) has the molecular formula C19H17BrClN3O and a molecular weight of 418.72 g/mol. Its IUPAC name is 4-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N,N-dimethylbenzamide
PubChem CID133436485
Molecular FormulaC19H17BrClN3O
Molecular Weight418.72 g/mol
Exact Mass417.02
IUPAC Name4-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CNc2ccc3cc(Br)cc(Cl)c3n2)cc1
InChIInChI=1S/C19H17BrClN3O/c1-24(2)19(25)13-5-3-12(4-6-13)11-22-17-8-7-14-9-15(20)10-16(21)18(14)23-17/h3-10H,11H2,1-2H3,(H,22,23)
InChIKeyMOGBSTVKCFWXPU-UHFFFAOYSA-N
XLogP4.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.72
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N-methylbenzenesulfonamide
CID 133436656
3-[(6-bromo-8-chloroquinolin-2-yl)amino]propan-1-ol
CID 75445295
N-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethyl]ethanesulfonamide
CID 133437081
6-bromo-8-chloro-N-[(1-methylimidazol-2-yl)methyl]quinolin-2-amine
CID 133437021
6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956139
6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956311
4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide
CID 43738745
4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738722
6-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-methylindole-2-carboxamide
CID 177140343
3-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 133437196
N,N-dimethyl-4-(methylaminomethyl)benzamide
CID 155590632
4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide
CID 43230444

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N,N-dimethylbenzamide (CID 133436485) is 4-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CNc2ccc3cc(Br)cc(Cl)c3n2)cc1.
What is the InChIKey of 4-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is MOGBSTVKCFWXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClN3O/c1-24(2)19(25)13-5-3-12(4-6-13)11-22-17-8-7-14-9-15(20)10-16(21)18(14)23-17/h3-10H,11H2,1-2H3,(H,22,23).
What are the key properties of 4-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N,N-dimethylbenzamide?
4-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 418.72 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 133436485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).