8-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]quinolin-4-amine

C17H17BrN4 — CID 133283115

IUPAC8-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]quinolin-4-amine
SMILESCN(C)c1ncccc1CNc1ccnc2c(Br)cccc12
InChIInChI=1S/C17H17BrN4/c1-22(2)17-12(5-4-9-20-17)11-21-15-8-10-19-16-13(15)6-3-7-14(16)18/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyVMIBNPNKIKUBSE-UHFFFAOYSA-N
MW357.26 g/mol
LogP4.07
Rot. Bonds4

About 8-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]quinolin-4-amine

8-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]quinolin-4-amine (PubChem CID 133283115) has the molecular formula C17H17BrN4 and a molecular weight of 357.26 g/mol. Its IUPAC name is 8-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name8-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]quinolin-4-amine
PubChem CID133283115
Molecular FormulaC17H17BrN4
Molecular Weight357.26 g/mol
Exact Mass356.06
IUPAC Name8-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]quinolin-4-amine
SMILESCN(C)c1ncccc1CNc1ccnc2c(Br)cccc12
InChIInChI=1S/C17H17BrN4/c1-22(2)17-12(5-4-9-20-17)11-21-15-8-10-19-16-13(15)6-3-7-14(16)18/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyVMIBNPNKIKUBSE-UHFFFAOYSA-N
XLogP4.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707640
N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine
CID 43731505
2-bromo-N-(quinolin-8-ylmethyl)aniline
CID 28616025
3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 55067063
3-[(2,2-dimethylpropylamino)methyl]-N,N-dimethylpyridin-2-amine
CID 115607162
8-bromo-N,N-dimethylquinazolin-4-amine
CID 110433416
3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine
CID 104777182
2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 43726392
1-benzyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]thiourea
CID 43076083
8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine
CID 63445925
8-bromo-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 166321865
8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine
CID 133368699

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]quinolin-4-amine?
The IUPAC name of 8-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]quinolin-4-amine (CID 133283115) is 8-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]quinolin-4-amine.
What is the SMILES notation for 8-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]quinolin-4-amine?
The canonical SMILES for 8-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]quinolin-4-amine is CN(C)c1ncccc1CNc1ccnc2c(Br)cccc12.
What is the InChIKey of 8-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]quinolin-4-amine?
The InChIKey is VMIBNPNKIKUBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4/c1-22(2)17-12(5-4-9-20-17)11-21-15-8-10-19-16-13(15)6-3-7-14(16)18/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of 8-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]quinolin-4-amine?
8-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]quinolin-4-amine has a molecular weight of 357.26 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]quinolin-4-amine is sourced from PubChem (CID 133283115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).