6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine

C15H19BrN4 — CID 43621313

IUPAC6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine
SMILESCN1CCC(Nc2c(N)cnc3ccc(Br)cc23)CC1
InChIInChI=1S/C15H19BrN4/c1-20-6-4-11(5-7-20)19-15-12-8-10(16)2-3-14(12)18-9-13(15)17/h2-3,8-9,11H,4-7,17H2,1H3,(H,18,19)
InChIKeyCQKCKZOSDFAFLR-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.09
Rot. Bonds2

About 6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine

6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine (PubChem CID 43621313) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine.

Molecular Properties

Compound Name6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine
PubChem CID43621313
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine
SMILESCN1CCC(Nc2c(N)cnc3ccc(Br)cc23)CC1
InChIInChI=1S/C15H19BrN4/c1-20-6-4-11(5-7-20)19-15-12-8-10(16)2-3-14(12)18-9-13(15)17/h2-3,8-9,11H,4-7,17H2,1H3,(H,18,19)
InChIKeyCQKCKZOSDFAFLR-UHFFFAOYSA-N
XLogP3.09
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-4-N-cyclopentylquinoline-3,4-diamine
CID 43621174
6-methyl-4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine
CID 123804895
3-[(3-amino-6-bromoquinolin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106252040
4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine
CID 113359410
6-bromo-4-N-(2,2-dimethylcyclopentyl)quinoline-3,4-diamine
CID 79861972
6-bromo-N-(1-methylpiperidin-4-yl)quinolin-3-amine
CID 67476109
8-bromo-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-4-N-(4-methylcyclohexyl)quinoline-3,4-diamine;bis(carbon dioxide)
CID 158407183
6-bromo-4-N-(1-cyclopropylpropan-2-yl)quinoline-3,4-diamine
CID 63988688
6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine
CID 43621310
1-[4-[(6-bromo-3-nitroquinolin-4-yl)amino]piperidin-1-yl]ethanone
CID 135145607
6-bromo-4-N-(2-cyclopentyloxyethyl)quinoline-3,4-diamine
CID 63826014
6-bromo-N-[(1-methylpiperidin-4-yl)methyl]-3-methylsulfonylquinolin-4-amine
CID 66715661

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine?
The IUPAC name of 6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine (CID 43621313) is 6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine.
What is the SMILES notation for 6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine?
The canonical SMILES for 6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine is CN1CCC(Nc2c(N)cnc3ccc(Br)cc23)CC1.
What is the InChIKey of 6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine?
The InChIKey is CQKCKZOSDFAFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-20-6-4-11(5-7-20)19-15-12-8-10(16)2-3-14(12)18-9-13(15)17/h2-3,8-9,11H,4-7,17H2,1H3,(H,18,19).
What are the key properties of 6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine?
6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine has a molecular weight of 335.25 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine is sourced from PubChem (CID 43621313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).