6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine

C13H17BrN4 — CID 43621177

IUPAC6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine
SMILESCN(C)CCNc1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C13H17BrN4/c1-18(2)6-5-16-13-10-7-9(14)3-4-12(10)17-8-11(13)15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyPLZFGZADUBSVTO-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.55
Rot. Bonds4

About 6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine

6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine (PubChem CID 43621177) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine.

Molecular Properties

Compound Name6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine
PubChem CID43621177
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine
SMILESCN(C)CCNc1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C13H17BrN4/c1-18(2)6-5-16-13-10-7-9(14)3-4-12(10)17-8-11(13)15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyPLZFGZADUBSVTO-UHFFFAOYSA-N
XLogP2.55
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-4-N-(2-methylsulfonylethyl)quinoline-3,4-diamine
CID 54934689
6-bromo-4-N-(2-pyridin-4-ylethyl)quinoline-3,4-diamine
CID 60915273
2-[(3-amino-6-bromoquinolin-4-yl)amino]ethylurea
CID 83116009
6-bromo-4-N-(2-methylbutyl)quinoline-3,4-diamine
CID 55186742
3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115358199
6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine
CID 61102494
6-bromo-4-N-(2-cyclopentyloxyethyl)quinoline-3,4-diamine
CID 63826014
6-bromo-4-N-(3-cyclopentylpropyl)quinoline-3,4-diamine
CID 106007171
6-bromo-4-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-3,4-diamine
CID 64548457
6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine
CID 63981205
1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol
CID 107151123
6-bromo-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinoline-3,4-diamine
CID 61282549

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine?
The IUPAC name of 6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine (CID 43621177) is 6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine.
What is the SMILES notation for 6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine?
The canonical SMILES for 6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine is CN(C)CCNc1c(N)cnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine?
The InChIKey is PLZFGZADUBSVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-18(2)6-5-16-13-10-7-9(14)3-4-12(10)17-8-11(13)15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,17).
What are the key properties of 6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine?
6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine has a molecular weight of 309.21 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine is sourced from PubChem (CID 43621177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).