2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol

C13H16BrN3O — CID 43621318

IUPAC2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C13H16BrN3O/c1-2-9(7-18)17-13-10-5-8(14)3-4-12(10)16-6-11(13)15/h3-6,9,18H,2,7,15H2,1H3,(H,16,17)
InChIKeyQUAQPXCYLIMDMO-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.76
Rot. Bonds4

About 2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol

2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol (PubChem CID 43621318) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol
PubChem CID43621318
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C13H16BrN3O/c1-2-9(7-18)17-13-10-5-8(14)3-4-12(10)16-6-11(13)15/h3-6,9,18H,2,7,15H2,1H3,(H,16,17)
InChIKeyQUAQPXCYLIMDMO-UHFFFAOYSA-N
XLogP2.76
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-4-N-(2-methylbutyl)quinoline-3,4-diamine
CID 55186742
3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115358199
6-bromo-4-N-(1-cyclopropylpropan-2-yl)quinoline-3,4-diamine
CID 63988688
3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol
CID 113495519
6-bromo-4-N-(2-methylsulfonylethyl)quinoline-3,4-diamine
CID 54934689
6-bromo-4-N-[1-(furan-2-yl)ethyl]quinoline-3,4-diamine
CID 43621334
1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol
CID 107151123
6-bromo-4-N-[1-(furan-2-yl)propan-2-yl]quinoline-3,4-diamine
CID 61469421
6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine
CID 43621177
6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine
CID 63981205
2-[(3-amino-6-bromoquinolin-4-yl)amino]ethylurea
CID 83116009
6-bromo-4-N-cyclopentylquinoline-3,4-diamine
CID 43621174

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol?
The IUPAC name of 2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol (CID 43621318) is 2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol is CCC(CO)Nc1c(N)cnc2ccc(Br)cc12.
What is the InChIKey of 2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol?
The InChIKey is QUAQPXCYLIMDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-2-9(7-18)17-13-10-5-8(14)3-4-12(10)16-6-11(13)15/h3-6,9,18H,2,7,15H2,1H3,(H,16,17).
What are the key properties of 2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol?
2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol has a molecular weight of 310.19 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 43621318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).