6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine

C16H20BrN3 — CID 43621310

IUPAC6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine
SMILESNc1cnc2ccc(Br)cc2c1NCC1CCCCC1
InChIInChI=1S/C16H20BrN3/c17-12-6-7-15-13(8-12)16(14(18)10-19-15)20-9-11-4-2-1-3-5-11/h6-8,10-11H,1-5,9,18H2,(H,19,20)
InChIKeyJGOGZNZYMZIHJO-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.57
Rot. Bonds3

About 6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine

6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine (PubChem CID 43621310) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine
PubChem CID43621310
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine
SMILESNc1cnc2ccc(Br)cc2c1NCC1CCCCC1
InChIInChI=1S/C16H20BrN3/c17-12-6-7-15-13(8-12)16(14(18)10-19-15)20-9-11-4-2-1-3-5-11/h6-8,10-11H,1-5,9,18H2,(H,19,20)
InChIKeyJGOGZNZYMZIHJO-UHFFFAOYSA-N
XLogP4.57
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

6-bromo-4-N-(3-cyclopentylpropyl)quinoline-3,4-diamine
CID 106007171
6-bromo-4-N-(2-cyclopentyloxyethyl)quinoline-3,4-diamine
CID 63826014
4-N-(cyclopentylmethyl)quinoline-3,4-diamine
CID 113359398
6-bromo-4-N-cyclopentylquinoline-3,4-diamine
CID 43621174
4-N-(cyclopropylmethyl)quinoline-3,4-diamine
CID 103962731
6-bromo-4-N-(1-cyclopropylpropan-2-yl)quinoline-3,4-diamine
CID 63988688
3-[(3-amino-6-bromoquinolin-4-yl)amino]-N-cyclopropylpropanamide
CID 79378044
6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine
CID 43621177
6-bromo-4-N-(2-methylsulfonylethyl)quinoline-3,4-diamine
CID 54934689
3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115358199
6-bromo-4-N-(2-methylbutyl)quinoline-3,4-diamine
CID 55186742
2-[(3-amino-6-bromoquinolin-4-yl)amino]ethylurea
CID 83116009

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine?
The IUPAC name of 6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine (CID 43621310) is 6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine.
What is the SMILES notation for 6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine?
The canonical SMILES for 6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine is Nc1cnc2ccc(Br)cc2c1NCC1CCCCC1.
What is the InChIKey of 6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine?
The InChIKey is JGOGZNZYMZIHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c17-12-6-7-15-13(8-12)16(14(18)10-19-15)20-9-11-4-2-1-3-5-11/h6-8,10-11H,1-5,9,18H2,(H,19,20).
What are the key properties of 6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine?
6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine has a molecular weight of 334.26 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine is sourced from PubChem (CID 43621310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).