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

C16H20BrN3 — CID 106948924

IUPAC3-bromo-8-N-(2-methylcyclohexyl)quinoline-5,8-diamine
SMILESCC1CCCCC1Nc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C16H20BrN3/c1-10-4-2-3-5-14(10)20-15-7-6-13(18)12-8-11(17)9-19-16(12)15/h6-10,14,20H,2-5,18H2,1H3
InChIKeyXAZYCDPEOIWODI-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.57
Rot. Bonds2

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

3-bromo-8-N-(2-methylcyclohexyl)quinoline-5,8-diamine (PubChem CID 106948924) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-bromo-8-N-(2-methylcyclohexyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name3-bromo-8-N-(2-methylcyclohexyl)quinoline-5,8-diamine
PubChem CID106948924
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name3-bromo-8-N-(2-methylcyclohexyl)quinoline-5,8-diamine
SMILESCC1CCCCC1Nc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C16H20BrN3/c1-10-4-2-3-5-14(10)20-15-7-6-13(18)12-8-11(17)9-19-16(12)15/h6-10,14,20H,2-5,18H2,1H3
InChIKeyXAZYCDPEOIWODI-UHFFFAOYSA-N
XLogP4.57
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-8-N-(2-methylcyclohexyl)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

8-N-(2-bicyclo[2.2.1]heptanyl)-3-bromoquinoline-5,8-diamine
CID 106949416
8-N-(2-methylcyclopentyl)quinoline-5,8-diamine
CID 63277803
3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine
CID 106949601
3-bromo-8-N-(2-cyclohexylethyl)quinoline-5,8-diamine
CID 106949103
3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine
CID 106949384
3-bromo-8-N-(3-cyclopentylpropyl)quinoline-5,8-diamine
CID 106007211
3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine
CID 106948978
2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-cyclopropylacetamide
CID 106949064
3-bromo-8-N-(1-cyclopropylbutan-2-yl)quinoline-5,8-diamine
CID 106949397
3-bromo-8-(2-methylazepan-1-yl)quinolin-5-amine
CID 106949404
3-bromo-8-N-phenylquinoline-5,8-diamine
CID 106948943
8-N-(1,3-dimethylpiperidin-4-yl)quinoline-5,8-diamine
CID 114502970

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-N-(2-methylcyclohexyl)quinoline-5,8-diamine?
The IUPAC name of 3-bromo-8-N-(2-methylcyclohexyl)quinoline-5,8-diamine (CID 106948924) is 3-bromo-8-N-(2-methylcyclohexyl)quinoline-5,8-diamine.
What is the SMILES notation for 3-bromo-8-N-(2-methylcyclohexyl)quinoline-5,8-diamine?
The canonical SMILES for 3-bromo-8-N-(2-methylcyclohexyl)quinoline-5,8-diamine is CC1CCCCC1Nc1ccc(N)c2cc(Br)cnc12.
What is the InChIKey of 3-bromo-8-N-(2-methylcyclohexyl)quinoline-5,8-diamine?
The InChIKey is XAZYCDPEOIWODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-10-4-2-3-5-14(10)20-15-7-6-13(18)12-8-11(17)9-19-16(12)15/h6-10,14,20H,2-5,18H2,1H3.
What are the key properties of 3-bromo-8-N-(2-methylcyclohexyl)quinoline-5,8-diamine?
3-bromo-8-N-(2-methylcyclohexyl)quinoline-5,8-diamine has a molecular weight of 334.26 g/mol, XLogP of 4.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-N-(2-methylcyclohexyl)quinoline-5,8-diamine is sourced from PubChem (CID 106948924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).