N-[2-[(E)-3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]prop-2-enyl]phenyl]-2,2-dimethylpropanamide

C31H31ClN2O — CID 19767777

About N-[2-[(E)-3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]prop-2-enyl]phenyl]-2,2-dimethylpropanamide

N-[2-[(E)-3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]prop-2-enyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 19767777) has the molecular formula C31H31ClN2O and a molecular weight of 483.06 g/mol. Its IUPAC name is N-[2-[(E)-3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]prop-2-enyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[2-[(E)-3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]prop-2-enyl]phenyl]-2,2-dimethylpropanamide
• PubChem CID: 19767777
• Molecular Formula: C31H31ClN2O
• Molecular Weight: 483.06 g/mol
• Exact Mass: 482.21
• IUPAC Name: N-[2-[(E)-3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]prop-2-enyl]phenyl]-2,2-dimethylpropanamide
• SMILES: CC(C)(C)C(=O)Nc1ccccc1C/C=C/c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1
• InChI: InChI=1S/C31H31ClN2O/c1-31(2,3)30(35)34-28-13-5-4-11-24(28)12-7-10-22-8-6-9-23(20-22)14-18-27-19-16-25-15-17-26(32)21-29(25)33-27/h4-11,13,15-17,19-21H,12,14,18H2,1-3H3,(H,34,35)/b10-7+
• InChIKey: PABWKWWOUPJTME-JXMROGBWSA-N
• XLogP: 7.91
• TPSA: 41.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.06
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]prop-2-enyl]phenyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[2-[(E)-3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]prop-2-enyl]phenyl]-2,2-dimethylpropanamide (CID 19767777) is N-[2-[(E)-3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]prop-2-enyl]phenyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[2-[(E)-3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]prop-2-enyl]phenyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[2-[(E)-3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]prop-2-enyl]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccccc1C/C=C/c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1.

What is the InChIKey of N-[2-[(E)-3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]prop-2-enyl]phenyl]-2,2-dimethylpropanamide?

The InChIKey is PABWKWWOUPJTME-JXMROGBWSA-N. The full InChI is InChI=1S/C31H31ClN2O/c1-31(2,3)30(35)34-28-13-5-4-11-24(28)12-7-10-22-8-6-9-23(20-22)14-18-27-19-16-25-15-17-26(32)21-29(25)33-27/h4-11,13,15-17,19-21H,12,14,18H2,1-3H3,(H,34,35)/b10-7+.

What are the key properties of N-[2-[(E)-3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]prop-2-enyl]phenyl]-2,2-dimethylpropanamide?

N-[2-[(E)-3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]prop-2-enyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 483.06 g/mol, XLogP of 7.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(E)-3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]prop-2-enyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 19767777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).