N-(6,8-dibromo-1,2,3,4-tetrahydroquinolin-4-yl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine;hydrochloride

C18H21Br2ClN6 — CID 10346465

IUPACN-(6,8-dibromo-1,2,3,4-tetrahydroquinolin-4-yl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine;hydrochloride
SMILESBrc1cc(Br)c2c(c1)C(NCCCNc1nc3ncccc3[nH]1)CCN2.Cl
InChIInChI=1S/C18H20Br2N6.ClH/c19-11-9-12-14(4-8-22-16(12)13(20)10-11)21-6-2-7-24-18-25-15-3-1-5-23-17(15)26-18;/h1,3,5,9-10,14,21-22H,2,4,6-8H2,(H2,23,24,25,26);1H
InChIKeyTWRVYDZGJMUAKX-UHFFFAOYSA-N
MW516.67 g/mol
LogP4.85
Rot. Bonds6

About N-(6,8-dibromo-1,2,3,4-tetrahydroquinolin-4-yl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine;hydrochloride

N-(6,8-dibromo-1,2,3,4-tetrahydroquinolin-4-yl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine;hydrochloride (PubChem CID 10346465) has the molecular formula C18H21Br2ClN6 and a molecular weight of 516.67 g/mol. Its IUPAC name is N-(6,8-dibromo-1,2,3,4-tetrahydroquinolin-4-yl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN-(6,8-dibromo-1,2,3,4-tetrahydroquinolin-4-yl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine;hydrochloride
PubChem CID10346465
Molecular FormulaC18H21Br2ClN6
Molecular Weight516.67 g/mol
Exact Mass513.99
IUPAC NameN-(6,8-dibromo-1,2,3,4-tetrahydroquinolin-4-yl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine;hydrochloride
SMILESBrc1cc(Br)c2c(c1)C(NCCCNc1nc3ncccc3[nH]1)CCN2.Cl
InChIInChI=1S/C18H20Br2N6.ClH/c19-11-9-12-14(4-8-22-16(12)13(20)10-11)21-6-2-7-24-18-25-15-3-1-5-23-17(15)26-18;/h1,3,5,9-10,14,21-22H,2,4,6-8H2,(H2,23,24,25,26);1H
InChIKeyTWRVYDZGJMUAKX-UHFFFAOYSA-N
XLogP4.85
TPSA77.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.67
LogP ≤ 54.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(6,8-dibromo-1,2,3,4-tetrahydroquinolin-4-yl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine;hydrochloride with MolForge

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Related Compounds

Pyrido[4,3-d]pyrimidine deriv. 3z
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CID 5328367
7AH7G4DT2X
CID 56948407
6-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538777
3-bromo-2-N-[2-(1H-imidazol-5-yl)ethyl]-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
CID 44456927
N'-(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 929778
N'-(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)-N,N-diethylethane-1,2-diamine
CID 1979800
N'-(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylpropane-1,3-diamine
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CID 9913028
N'-(1H-benzimidazol-2-yl)-N-(6,8-dibromo-1,2,3,4-tetrahydroquinolin-4-yl)propane-1,3-diamine
CID 9956757
N-(6-ethyl-8-iodo-1,2,3,4-tetrahydroquinolin-4-yl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
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Frequently Asked Questions

What is the IUPAC name of N-(6,8-dibromo-1,2,3,4-tetrahydroquinolin-4-yl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine;hydrochloride?
The IUPAC name of N-(6,8-dibromo-1,2,3,4-tetrahydroquinolin-4-yl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine;hydrochloride (CID 10346465) is N-(6,8-dibromo-1,2,3,4-tetrahydroquinolin-4-yl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for N-(6,8-dibromo-1,2,3,4-tetrahydroquinolin-4-yl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for N-(6,8-dibromo-1,2,3,4-tetrahydroquinolin-4-yl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine;hydrochloride is Brc1cc(Br)c2c(c1)C(NCCCNc1nc3ncccc3[nH]1)CCN2.Cl.
What is the InChIKey of N-(6,8-dibromo-1,2,3,4-tetrahydroquinolin-4-yl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine;hydrochloride?
The InChIKey is TWRVYDZGJMUAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Br2N6.ClH/c19-11-9-12-14(4-8-22-16(12)13(20)10-11)21-6-2-7-24-18-25-15-3-1-5-23-17(15)26-18;/h1,3,5,9-10,14,21-22H,2,4,6-8H2,(H2,23,24,25,26);1H.
What are the key properties of N-(6,8-dibromo-1,2,3,4-tetrahydroquinolin-4-yl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine;hydrochloride?
N-(6,8-dibromo-1,2,3,4-tetrahydroquinolin-4-yl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine;hydrochloride has a molecular weight of 516.67 g/mol, XLogP of 4.85, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-dibromo-1,2,3,4-tetrahydroquinolin-4-yl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 10346465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).