2-[6-[(E)-2-(6,7-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)ethenyl]-3-pyridinyl]benzonitrile

C25H23N3 — CID 143653917

About 2-[6-[(E)-2-(6,7-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)ethenyl]-3-pyridinyl]benzonitrile

2-[6-[(E)-2-(6,7-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)ethenyl]-3-pyridinyl]benzonitrile (PubChem CID 143653917) has the molecular formula C25H23N3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[6-[(E)-2-(6,7-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)ethenyl]-3-pyridinyl]benzonitrile.

Molecular Properties

• Compound Name: 2-[6-[(E)-2-(6,7-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)ethenyl]-3-pyridinyl]benzonitrile
• PubChem CID: 143653917
• Molecular Formula: C25H23N3
• Molecular Weight: 365.48 g/mol
• Exact Mass: 365.19
• IUPAC Name: 2-[6-[(E)-2-(6,7-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)ethenyl]-3-pyridinyl]benzonitrile
• SMILES: CC1Cc2cccnc2C(/C=C/c2ccc(-c3ccccc3C#N)cn2)C1C
• InChI: InChI=1S/C25H23N3/c1-17-14-19-7-5-13-27-25(19)23(18(17)2)12-11-22-10-9-21(16-28-22)24-8-4-3-6-20(24)15-26/h3-13,16-18,23H,14H2,1-2H3/b12-11+
• InChIKey: MSUINBZECPBRBF-VAWYXSNFSA-N
• XLogP: 5.64
• TPSA: 49.57 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	365.48
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(E)-2-(6,7-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)ethenyl]-3-pyridinyl]benzonitrile?

The IUPAC name of 2-[6-[(E)-2-(6,7-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)ethenyl]-3-pyridinyl]benzonitrile (CID 143653917) is 2-[6-[(E)-2-(6,7-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)ethenyl]-3-pyridinyl]benzonitrile.

What is the SMILES notation for 2-[6-[(E)-2-(6,7-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)ethenyl]-3-pyridinyl]benzonitrile?

The canonical SMILES for 2-[6-[(E)-2-(6,7-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)ethenyl]-3-pyridinyl]benzonitrile is CC1Cc2cccnc2C(/C=C/c2ccc(-c3ccccc3C#N)cn2)C1C.

What is the InChIKey of 2-[6-[(E)-2-(6,7-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)ethenyl]-3-pyridinyl]benzonitrile?

The InChIKey is MSUINBZECPBRBF-VAWYXSNFSA-N. The full InChI is InChI=1S/C25H23N3/c1-17-14-19-7-5-13-27-25(19)23(18(17)2)12-11-22-10-9-21(16-28-22)24-8-4-3-6-20(24)15-26/h3-13,16-18,23H,14H2,1-2H3/b12-11+.

What are the key properties of 2-[6-[(E)-2-(6,7-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)ethenyl]-3-pyridinyl]benzonitrile?

2-[6-[(E)-2-(6,7-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)ethenyl]-3-pyridinyl]benzonitrile has a molecular weight of 365.48 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(E)-2-(6,7-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)ethenyl]-3-pyridinyl]benzonitrile is sourced from PubChem (CID 143653917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).