5-bromo-8-methylquinoline;[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol;hydrochloride

C32H42BrClN4O4 — CID 157226461

About 5-bromo-8-methylquinoline;[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol;hydrochloride

5-bromo-8-methylquinoline;[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol;hydrochloride (PubChem CID 157226461) has the molecular formula C32H42BrClN4O4 and a molecular weight of 662.07 g/mol. Its IUPAC name is 5-bromo-8-methylquinoline;[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol;hydrochloride.

Molecular Properties

• Compound Name: 5-bromo-8-methylquinoline;[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol;hydrochloride
• PubChem CID: 157226461
• Molecular Formula: C32H42BrClN4O4
• Molecular Weight: 662.07 g/mol
• Exact Mass: 660.21
• IUPAC Name: 5-bromo-8-methylquinoline;[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol;hydrochloride
• SMILES: C[C@@H]1CNC[C@H](CO)O1.Cc1ccc(Br)c2cccnc12.Cc1ccc(N2C[C@H](CO)O[C@H](C)C2)c2cccnc12.Cl
• InChI: InChI=1S/C16H20N2O2.C10H8BrN.C6H13NO2.ClH/c1-11-5-6-15(14-4-3-7-17-16(11)14)18-8-12(2)20-13(9-18)10-19;1-7-4-5-9(11)8-3-2-6-12-10(7)8;1-5-2-7-3-6(4-8)9-5;/h3-7,12-13,19H,8-10H2,1-2H3;2-6H,1H3;5-8H,2-4H2,1H3;1H/t12-,13-;;5-,6-;/m1.1./s1
• InChIKey: XBSIRWLPLXHSKW-OSNYVUOGSA-N
• XLogP: 5.21
• TPSA: 99.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.07
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-methylquinoline;[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol;hydrochloride?

The IUPAC name of 5-bromo-8-methylquinoline;[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol;hydrochloride (CID 157226461) is 5-bromo-8-methylquinoline;[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol;hydrochloride.

What is the SMILES notation for 5-bromo-8-methylquinoline;[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol;hydrochloride?

The canonical SMILES for 5-bromo-8-methylquinoline;[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol;hydrochloride is C[C@@H]1CNC[C@H](CO)O1.Cc1ccc(Br)c2cccnc12.Cc1ccc(N2C[C@H](CO)O[C@H](C)C2)c2cccnc12.Cl.

What is the InChIKey of 5-bromo-8-methylquinoline;[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol;hydrochloride?

The InChIKey is XBSIRWLPLXHSKW-OSNYVUOGSA-N. The full InChI is InChI=1S/C16H20N2O2.C10H8BrN.C6H13NO2.ClH/c1-11-5-6-15(14-4-3-7-17-16(11)14)18-8-12(2)20-13(9-18)10-19;1-7-4-5-9(11)8-3-2-6-12-10(7)8;1-5-2-7-3-6(4-8)9-5;/h3-7,12-13,19H,8-10H2,1-2H3;2-6H,1H3;5-8H,2-4H2,1H3;1H/t12-,13-;;5-,6-;/m1.1./s1.

What are the key properties of 5-bromo-8-methylquinoline;[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol;hydrochloride?

5-bromo-8-methylquinoline;[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol;hydrochloride has a molecular weight of 662.07 g/mol, XLogP of 5.21, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-8-methylquinoline;[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 157226461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).