3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine

C16H20BrN3O — CID 106949384

IUPAC3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine
SMILESNc1ccc(NCCOC2CCCC2)c2ncc(Br)cc12
InChIInChI=1S/C16H20BrN3O/c17-11-9-13-14(18)5-6-15(16(13)20-10-11)19-7-8-21-12-3-1-2-4-12/h5-6,9-10,12,19H,1-4,7-8,18H2
InChIKeyAEOVYTCAMJWQHE-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.95
Rot. Bonds5

About 3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine

3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine (PubChem CID 106949384) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine
PubChem CID106949384
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine
SMILESNc1ccc(NCCOC2CCCC2)c2ncc(Br)cc12
InChIInChI=1S/C16H20BrN3O/c17-11-9-13-14(18)5-6-15(16(13)20-10-11)19-7-8-21-12-3-1-2-4-12/h5-6,9-10,12,19H,1-4,7-8,18H2
InChIKeyAEOVYTCAMJWQHE-UHFFFAOYSA-N
XLogP3.95
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-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-(2-cyclohexylethyl)quinoline-5,8-diamine
CID 106949103
3-bromo-8-N-(3-cyclopentylpropyl)quinoline-5,8-diamine
CID 106007211
3-bromo-8-N-[2-(3-methylbutoxy)ethyl]quinoline-5,8-diamine
CID 106949268
4-bromo-1-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine
CID 63825845
4-bromo-2-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine
CID 65342141
3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine
CID 106949601
3-bromo-8-N-pentylquinoline-5,8-diamine
CID 106948914
4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol
CID 106243456
6-bromo-4-N-(2-cyclopentyloxyethyl)quinoline-3,4-diamine
CID 63826014
3-bromo-8-N-(2-methylcyclohexyl)quinoline-5,8-diamine
CID 106948924
2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-cyclopropylacetamide
CID 106949064
3-bromo-8-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-5,8-diamine
CID 106036709

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine?
The IUPAC name of 3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine (CID 106949384) is 3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine.
What is the SMILES notation for 3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine?
The canonical SMILES for 3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine is Nc1ccc(NCCOC2CCCC2)c2ncc(Br)cc12.
What is the InChIKey of 3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine?
The InChIKey is AEOVYTCAMJWQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c17-11-9-13-14(18)5-6-15(16(13)20-10-11)19-7-8-21-12-3-1-2-4-12/h5-6,9-10,12,19H,1-4,7-8,18H2.
What are the key properties of 3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine?
3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine has a molecular weight of 350.26 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine is sourced from PubChem (CID 106949384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).