(Z)-N-(2-chlorophenyl)-2-cyano-3-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide

C23H24ClN3O — CID 132659863

About (Z)-N-(2-chlorophenyl)-2-cyano-3-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide

(Z)-N-(2-chlorophenyl)-2-cyano-3-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide (PubChem CID 132659863) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is (Z)-N-(2-chlorophenyl)-2-cyano-3-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide.

Molecular Properties

• Compound Name: (Z)-N-(2-chlorophenyl)-2-cyano-3-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide
• PubChem CID: 132659863
• Molecular Formula: C23H24ClN3O
• Molecular Weight: 393.92 g/mol
• Exact Mass: 393.16
• IUPAC Name: (Z)-N-(2-chlorophenyl)-2-cyano-3-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide
• SMILES: CC1CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cc21
• InChI: InChI=1S/C23H24ClN3O/c1-15-13-23(2,3)27(4)21-10-9-16(12-18(15)21)11-17(14-25)22(28)26-20-8-6-5-7-19(20)24/h5-12,15H,13H2,1-4H3,(H,26,28)/b17-11-
• InChIKey: YVIGRDCTFYCBJC-BOPFTXTBSA-N
• XLogP: 5.61
• TPSA: 56.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	393.92
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-chlorophenyl)-2-cyano-3-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide?

The IUPAC name of (Z)-N-(2-chlorophenyl)-2-cyano-3-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide (CID 132659863) is (Z)-N-(2-chlorophenyl)-2-cyano-3-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide.

What is the SMILES notation for (Z)-N-(2-chlorophenyl)-2-cyano-3-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide?

The canonical SMILES for (Z)-N-(2-chlorophenyl)-2-cyano-3-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide is CC1CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cc21.

What is the InChIKey of (Z)-N-(2-chlorophenyl)-2-cyano-3-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide?

The InChIKey is YVIGRDCTFYCBJC-BOPFTXTBSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-15-13-23(2,3)27(4)21-10-9-16(12-18(15)21)11-17(14-25)22(28)26-20-8-6-5-7-19(20)24/h5-12,15H,13H2,1-4H3,(H,26,28)/b17-11-.

What are the key properties of (Z)-N-(2-chlorophenyl)-2-cyano-3-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide?

(Z)-N-(2-chlorophenyl)-2-cyano-3-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide has a molecular weight of 393.92 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-(2-chlorophenyl)-2-cyano-3-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide is sourced from PubChem (CID 132659863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).