3-[(6-bromo-8-chloroquinolin-2-yl)amino]butan-1-ol

C13H14BrClN2O — CID 133436638

IUPAC3-[(6-bromo-8-chloroquinolin-2-yl)amino]butan-1-ol
SMILESCC(CCO)Nc1ccc2cc(Br)cc(Cl)c2n1
InChIInChI=1S/C13H14BrClN2O/c1-8(4-5-18)16-12-3-2-9-6-10(14)7-11(15)13(9)17-12/h2-3,6-8,18H,4-5H2,1H3,(H,16,17)
InChIKeyUMMLSVOQCUSKNK-UHFFFAOYSA-N
MW329.63 g/mol
LogP3.83
Rot. Bonds4

About 3-[(6-bromo-8-chloroquinolin-2-yl)amino]butan-1-ol

3-[(6-bromo-8-chloroquinolin-2-yl)amino]butan-1-ol (PubChem CID 133436638) has the molecular formula C13H14BrClN2O and a molecular weight of 329.63 g/mol. Its IUPAC name is 3-[(6-bromo-8-chloroquinolin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(6-bromo-8-chloroquinolin-2-yl)amino]butan-1-ol
PubChem CID133436638
Molecular FormulaC13H14BrClN2O
Molecular Weight329.63 g/mol
Exact Mass328.00
IUPAC Name3-[(6-bromo-8-chloroquinolin-2-yl)amino]butan-1-ol
SMILESCC(CCO)Nc1ccc2cc(Br)cc(Cl)c2n1
InChIInChI=1S/C13H14BrClN2O/c1-8(4-5-18)16-12-3-2-9-6-10(14)7-11(15)13(9)17-12/h2-3,6-8,18H,4-5H2,1H3,(H,16,17)
InChIKeyUMMLSVOQCUSKNK-UHFFFAOYSA-N
XLogP3.83
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(6-bromo-8-chloroquinolin-2-yl)amino]butan-1-ol with MolForge

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Related Compounds

3-[(6-bromo-8-chloroquinolin-2-yl)amino]propan-1-ol
CID 75445295
3-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 133437196
(3R)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523223
(3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523222
(3R)-3-[(4-bromo-2-pyridinyl)amino]butan-1-ol
CID 130668971
N-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]acetamide
CID 133436542
N-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethyl]ethanesulfonamide
CID 133437081
3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol
CID 104924371
(3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol
CID 126987059
4-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N,N-dimethylbenzamide
CID 133436485
6-bromo-8-chloro-N-[(1-methylimidazol-2-yl)methyl]quinolin-2-amine
CID 133437021
1-[(6-bromo-8-chloroquinolin-2-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol
CID 75445309

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-8-chloroquinolin-2-yl)amino]butan-1-ol?
The IUPAC name of 3-[(6-bromo-8-chloroquinolin-2-yl)amino]butan-1-ol (CID 133436638) is 3-[(6-bromo-8-chloroquinolin-2-yl)amino]butan-1-ol.
What is the SMILES notation for 3-[(6-bromo-8-chloroquinolin-2-yl)amino]butan-1-ol?
The canonical SMILES for 3-[(6-bromo-8-chloroquinolin-2-yl)amino]butan-1-ol is CC(CCO)Nc1ccc2cc(Br)cc(Cl)c2n1.
What is the InChIKey of 3-[(6-bromo-8-chloroquinolin-2-yl)amino]butan-1-ol?
The InChIKey is UMMLSVOQCUSKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O/c1-8(4-5-18)16-12-3-2-9-6-10(14)7-11(15)13(9)17-12/h2-3,6-8,18H,4-5H2,1H3,(H,16,17).
What are the key properties of 3-[(6-bromo-8-chloroquinolin-2-yl)amino]butan-1-ol?
3-[(6-bromo-8-chloroquinolin-2-yl)amino]butan-1-ol has a molecular weight of 329.63 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-8-chloroquinolin-2-yl)amino]butan-1-ol is sourced from PubChem (CID 133436638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).