bis(3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride

C16H20Br2Cl2N4 — CID 154804713

IUPACbis(3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride
SMILESBrc1cnc2c(c1)CNCC2.Brc1cnc2c(c1)CNCC2.Cl.Cl
InChIInChI=1S/2C8H9BrN2.2ClH/c2*9-7-3-6-4-10-2-1-8(6)11-5-7;;/h2*3,5,10H,1-2,4H2;2*1H
InChIKeyJKBBJGLCFPBQQF-UHFFFAOYSA-N
MW499.08 g/mol
LogP3.82
Rot. Bonds

About bis(3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride

bis(3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride (PubChem CID 154804713) has the molecular formula C16H20Br2Cl2N4 and a molecular weight of 499.08 g/mol. Its IUPAC name is bis(3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride.

Molecular Properties

Compound Namebis(3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride
PubChem CID154804713
Molecular FormulaC16H20Br2Cl2N4
Molecular Weight499.08 g/mol
Exact Mass495.94
IUPAC Namebis(3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride
SMILESBrc1cnc2c(c1)CNCC2.Brc1cnc2c(c1)CNCC2.Cl.Cl
InChIInChI=1S/2C8H9BrN2.2ClH/c2*9-7-3-6-4-10-2-1-8(6)11-5-7;;/h2*3,5,10H,1-2,4H2;2*1H
InChIKeyJKBBJGLCFPBQQF-UHFFFAOYSA-N
XLogP3.82
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.08
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze bis(3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride 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

3-(difluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 89389298
5,6,7,8-tetrahydro-1,6-naphthyridin-3-amine
CID 53249914
bis(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride
CID 173031147
3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 14297064
3-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 119030370
7-bromo-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride
CID 139035179
7-bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255
1-(5-bromo-3-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79718724
1-(5-bromo-3-chloro-2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 103582761
(Z)-3-methylimino-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)prop-1-en-1-amine
CID 178171862
(E)-4-(dimethylamino)-N-methyl-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)but-2-enamide;hydrochloride
CID 172614217
1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine
CID 13193877

Frequently Asked Questions

What is the IUPAC name of bis(3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride?
The IUPAC name of bis(3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride (CID 154804713) is bis(3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride.
What is the SMILES notation for bis(3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride?
The canonical SMILES for bis(3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride is Brc1cnc2c(c1)CNCC2.Brc1cnc2c(c1)CNCC2.Cl.Cl.
What is the InChIKey of bis(3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride?
The InChIKey is JKBBJGLCFPBQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H9BrN2.2ClH/c2*9-7-3-6-4-10-2-1-8(6)11-5-7;;/h2*3,5,10H,1-2,4H2;2*1H.
What are the key properties of bis(3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride?
bis(3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride has a molecular weight of 499.08 g/mol, XLogP of 3.82, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride is sourced from PubChem (CID 154804713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).