2-[2-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(dimethylamino)propyl]phenyl]propan-2-ol

C31H33ClN2O — CID 143485636

About 2-[2-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(dimethylamino)propyl]phenyl]propan-2-ol

2-[2-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(dimethylamino)propyl]phenyl]propan-2-ol (PubChem CID 143485636) has the molecular formula C31H33ClN2O and a molecular weight of 485.07 g/mol. Its IUPAC name is 2-[2-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(dimethylamino)propyl]phenyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[2-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(dimethylamino)propyl]phenyl]propan-2-ol
• PubChem CID: 143485636
• Molecular Formula: C31H33ClN2O
• Molecular Weight: 485.07 g/mol
• Exact Mass: 484.23
• IUPAC Name: 2-[2-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(dimethylamino)propyl]phenyl]propan-2-ol
• SMILES: CN(C)C(CCc1ccccc1C(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
• InChI: InChI=1S/C31H33ClN2O/c1-31(2,35)28-11-6-5-9-23(28)15-19-30(34(3)4)25-10-7-8-22(20-25)12-17-27-18-14-24-13-16-26(32)21-29(24)33-27/h5-14,16-18,20-21,30,35H,15,19H2,1-4H3/b17-12+
• InChIKey: AJECLAFBFOGKKM-SFQUDFHCSA-N
• XLogP: 7.52
• TPSA: 36.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.07
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(dimethylamino)propyl]phenyl]propan-2-ol?

The IUPAC name of 2-[2-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(dimethylamino)propyl]phenyl]propan-2-ol (CID 143485636) is 2-[2-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(dimethylamino)propyl]phenyl]propan-2-ol.

What is the SMILES notation for 2-[2-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(dimethylamino)propyl]phenyl]propan-2-ol?

The canonical SMILES for 2-[2-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(dimethylamino)propyl]phenyl]propan-2-ol is CN(C)C(CCc1ccccc1C(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1.

What is the InChIKey of 2-[2-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(dimethylamino)propyl]phenyl]propan-2-ol?

The InChIKey is AJECLAFBFOGKKM-SFQUDFHCSA-N. The full InChI is InChI=1S/C31H33ClN2O/c1-31(2,35)28-11-6-5-9-23(28)15-19-30(34(3)4)25-10-7-8-22(20-25)12-17-27-18-14-24-13-16-26(32)21-29(24)33-27/h5-14,16-18,20-21,30,35H,15,19H2,1-4H3/b17-12+.

What are the key properties of 2-[2-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(dimethylamino)propyl]phenyl]propan-2-ol?

2-[2-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(dimethylamino)propyl]phenyl]propan-2-ol has a molecular weight of 485.07 g/mol, XLogP of 7.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(dimethylamino)propyl]phenyl]propan-2-ol is sourced from PubChem (CID 143485636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).