3-bromo-8-N-pentylquinoline-5,8-diamine

C14H18BrN3 — CID 106948914

IUPAC3-bromo-8-N-pentylquinoline-5,8-diamine
SMILESCCCCCNc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C14H18BrN3/c1-2-3-4-7-17-13-6-5-12(16)11-8-10(15)9-18-14(11)13/h5-6,8-9,17H,2-4,7,16H2,1H3
InChIKeyOVLVQCMNOPYIPV-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.18
Rot. Bonds5

About 3-bromo-8-N-pentylquinoline-5,8-diamine

3-bromo-8-N-pentylquinoline-5,8-diamine (PubChem CID 106948914) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 3-bromo-8-N-pentylquinoline-5,8-diamine.

Molecular Properties

Compound Name3-bromo-8-N-pentylquinoline-5,8-diamine
PubChem CID106948914
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name3-bromo-8-N-pentylquinoline-5,8-diamine
SMILESCCCCCNc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C14H18BrN3/c1-2-3-4-7-17-13-6-5-12(16)11-8-10(15)9-18-14(11)13/h5-6,8-9,17H,2-4,7,16H2,1H3
InChIKeyOVLVQCMNOPYIPV-UHFFFAOYSA-N
XLogP4.18
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-8-N-pentylquinoline-5,8-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

3-bromo-8-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-5,8-diamine
CID 106036709
1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol
CID 106949641
3-bromo-8-N-(3-cyclopentylpropyl)quinoline-5,8-diamine
CID 106007211
3-bromo-8-N-(3-methylsulfanylbutyl)quinoline-5,8-diamine
CID 106949636
3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine
CID 106949703
3-bromo-8-N-(2-cyclohexylethyl)quinoline-5,8-diamine
CID 106949103
3-bromo-8-N-[2-(3-methylbutoxy)ethyl]quinoline-5,8-diamine
CID 106949268
3-bromo-8-N-pentan-2-ylquinoline-5,8-diamine
CID 106948910
3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine
CID 106949384
4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol
CID 106243456
3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine
CID 106949601
3-[(5-amino-3-bromoquinolin-8-yl)amino]propane-1,2-diol
CID 106949477

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-N-pentylquinoline-5,8-diamine?
The IUPAC name of 3-bromo-8-N-pentylquinoline-5,8-diamine (CID 106948914) is 3-bromo-8-N-pentylquinoline-5,8-diamine.
What is the SMILES notation for 3-bromo-8-N-pentylquinoline-5,8-diamine?
The canonical SMILES for 3-bromo-8-N-pentylquinoline-5,8-diamine is CCCCCNc1ccc(N)c2cc(Br)cnc12.
What is the InChIKey of 3-bromo-8-N-pentylquinoline-5,8-diamine?
The InChIKey is OVLVQCMNOPYIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-2-3-4-7-17-13-6-5-12(16)11-8-10(15)9-18-14(11)13/h5-6,8-9,17H,2-4,7,16H2,1H3.
What are the key properties of 3-bromo-8-N-pentylquinoline-5,8-diamine?
3-bromo-8-N-pentylquinoline-5,8-diamine has a molecular weight of 308.22 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-N-pentylquinoline-5,8-diamine is sourced from PubChem (CID 106948914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).