7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile

C30H25ClN2O2 — CID 78445457

About 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile

7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile (PubChem CID 78445457) has the molecular formula C30H25ClN2O2 and a molecular weight of 481.00 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile.

Molecular Properties

• Compound Name: 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
• PubChem CID: 78445457
• Molecular Formula: C30H25ClN2O2
• Molecular Weight: 481.00 g/mol
• Exact Mass: 480.16
• IUPAC Name: 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
• SMILES: CC1=NC2=C(C(=O)CC(c3ccc(Cl)cc3)C2)C(c2ccc(OCc3ccccc3)cc2)C1C#N
• InChI: InChI=1S/C30H25ClN2O2/c1-19-26(17-32)29(22-9-13-25(14-10-22)35-18-20-5-3-2-4-6-20)30-27(33-19)15-23(16-28(30)34)21-7-11-24(31)12-8-21/h2-14,23,26,29H,15-16,18H2,1H3
• InChIKey: UGDYGLMMGKAHHV-UHFFFAOYSA-N
• XLogP: 7.02
• TPSA: 62.45 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.00
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile?

The IUPAC name of 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile (CID 78445457) is 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile.

What is the SMILES notation for 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile?

The canonical SMILES for 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile is CC1=NC2=C(C(=O)CC(c3ccc(Cl)cc3)C2)C(c2ccc(OCc3ccccc3)cc2)C1C#N.

What is the InChIKey of 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile?

The InChIKey is UGDYGLMMGKAHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClN2O2/c1-19-26(17-32)29(22-9-13-25(14-10-22)35-18-20-5-3-2-4-6-20)30-27(33-19)15-23(16-28(30)34)21-7-11-24(31)12-8-21/h2-14,23,26,29H,15-16,18H2,1H3.

What are the key properties of 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile?

7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile has a molecular weight of 481.00 g/mol, XLogP of 7.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile is sourced from PubChem (CID 78445457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).