6-bromo-4-N-cyclopentylquinoline-3,4-diamine

C14H16BrN3 — CID 43621174

IUPAC6-bromo-4-N-cyclopentylquinoline-3,4-diamine
SMILESNc1cnc2ccc(Br)cc2c1NC1CCCC1
InChIInChI=1S/C14H16BrN3/c15-9-5-6-13-11(7-9)14(12(16)8-17-13)18-10-3-1-2-4-10/h5-8,10H,1-4,16H2,(H,17,18)
InChIKeyMIWSUEWCOBBDBI-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.93
Rot. Bonds2

About 6-bromo-4-N-cyclopentylquinoline-3,4-diamine

6-bromo-4-N-cyclopentylquinoline-3,4-diamine (PubChem CID 43621174) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 6-bromo-4-N-cyclopentylquinoline-3,4-diamine.

Molecular Properties

Compound Name6-bromo-4-N-cyclopentylquinoline-3,4-diamine
PubChem CID43621174
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name6-bromo-4-N-cyclopentylquinoline-3,4-diamine
SMILESNc1cnc2ccc(Br)cc2c1NC1CCCC1
InChIInChI=1S/C14H16BrN3/c15-9-5-6-13-11(7-9)14(12(16)8-17-13)18-10-3-1-2-4-10/h5-8,10H,1-4,16H2,(H,17,18)
InChIKeyMIWSUEWCOBBDBI-UHFFFAOYSA-N
XLogP3.93
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine
CID 43621313
6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine
CID 43621310
6-bromo-4-N-(2-cyclopentyloxyethyl)quinoline-3,4-diamine
CID 63826014
6-bromo-4-N-(2,2-dimethylcyclopentyl)quinoline-3,4-diamine
CID 79861972
4-N-cyclohexylquinoline-3,4-diamine
CID 103962725
6-bromo-4-N-(3-cyclopentylpropyl)quinoline-3,4-diamine
CID 106007171
3-[(3-amino-6-bromoquinolin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106252040
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
8-bromo-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-4-N-(4-methylcyclohexyl)quinoline-3,4-diamine;bis(carbon dioxide)
CID 158407183
6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine
CID 43621293
6-bromo-4-pyrrolidin-1-ylquinolin-3-amine
CID 43621123

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-N-cyclopentylquinoline-3,4-diamine?
The IUPAC name of 6-bromo-4-N-cyclopentylquinoline-3,4-diamine (CID 43621174) is 6-bromo-4-N-cyclopentylquinoline-3,4-diamine.
What is the SMILES notation for 6-bromo-4-N-cyclopentylquinoline-3,4-diamine?
The canonical SMILES for 6-bromo-4-N-cyclopentylquinoline-3,4-diamine is Nc1cnc2ccc(Br)cc2c1NC1CCCC1.
What is the InChIKey of 6-bromo-4-N-cyclopentylquinoline-3,4-diamine?
The InChIKey is MIWSUEWCOBBDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c15-9-5-6-13-11(7-9)14(12(16)8-17-13)18-10-3-1-2-4-10/h5-8,10H,1-4,16H2,(H,17,18).
What are the key properties of 6-bromo-4-N-cyclopentylquinoline-3,4-diamine?
6-bromo-4-N-cyclopentylquinoline-3,4-diamine has a molecular weight of 306.21 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-N-cyclopentylquinoline-3,4-diamine is sourced from PubChem (CID 43621174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).