1-[(6-bromo-8-chloroquinolin-2-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol

C17H21BrClN3O2 — CID 75445309

IUPAC1-[(6-bromo-8-chloroquinolin-2-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol
SMILESCC(O)(CNc1ccc2cc(Br)cc(Cl)c2n1)CN1CCOCC1
InChIInChI=1S/C17H21BrClN3O2/c1-17(23,11-22-4-6-24-7-5-22)10-20-15-3-2-12-8-13(18)9-14(19)16(12)21-15/h2-3,8-9,23H,4-7,10-11H2,1H3,(H,20,21)
InChIKeyBLXWHZRYENFKQH-UHFFFAOYSA-N
MW414.73 g/mol
LogP3.15
Rot. Bonds5

About 1-[(6-bromo-8-chloroquinolin-2-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol

1-[(6-bromo-8-chloroquinolin-2-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol (PubChem CID 75445309) has the molecular formula C17H21BrClN3O2 and a molecular weight of 414.73 g/mol. Its IUPAC name is 1-[(6-bromo-8-chloroquinolin-2-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-bromo-8-chloroquinolin-2-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol
PubChem CID75445309
Molecular FormulaC17H21BrClN3O2
Molecular Weight414.73 g/mol
Exact Mass413.05
IUPAC Name1-[(6-bromo-8-chloroquinolin-2-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol
SMILESCC(O)(CNc1ccc2cc(Br)cc(Cl)c2n1)CN1CCOCC1
InChIInChI=1S/C17H21BrClN3O2/c1-17(23,11-22-4-6-24-7-5-22)10-20-15-3-2-12-8-13(18)9-14(19)16(12)21-15/h2-3,8-9,23H,4-7,10-11H2,1H3,(H,20,21)
InChIKeyBLXWHZRYENFKQH-UHFFFAOYSA-N
XLogP3.15
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.73
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromo-8-chloroquinolin-2-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[(6-bromo-8-chloroquinolin-2-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol (CID 75445309) is 1-[(6-bromo-8-chloroquinolin-2-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[(6-bromo-8-chloroquinolin-2-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[(6-bromo-8-chloroquinolin-2-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol is CC(O)(CNc1ccc2cc(Br)cc(Cl)c2n1)CN1CCOCC1.
What is the InChIKey of 1-[(6-bromo-8-chloroquinolin-2-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
The InChIKey is BLXWHZRYENFKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrClN3O2/c1-17(23,11-22-4-6-24-7-5-22)10-20-15-3-2-12-8-13(18)9-14(19)16(12)21-15/h2-3,8-9,23H,4-7,10-11H2,1H3,(H,20,21).
What are the key properties of 1-[(6-bromo-8-chloroquinolin-2-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
1-[(6-bromo-8-chloroquinolin-2-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol has a molecular weight of 414.73 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromo-8-chloroquinolin-2-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 75445309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).