2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile

C23H28N4O2 — CID 3579738

About 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile

2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile (PubChem CID 3579738) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
• PubChem CID: 3579738
• Molecular Formula: C23H28N4O2
• Molecular Weight: 392.50 g/mol
• Exact Mass: 392.22
• IUPAC Name: 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
• SMILES: C=CCOc1ccc(C2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1
• InChI: InChI=1S/C23H28N4O2/c1-6-11-29-16-9-7-15(8-10-16)20-17(14-24)22(25)27(26(4)5)18-12-23(2,3)13-19(28)21(18)20/h6-10,20H,1,11-13,25H2,2-5H3
• InChIKey: FYYYVLDQOHHBNT-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 82.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.50
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile?

The IUPAC name of 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile (CID 3579738) is 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile.

What is the SMILES notation for 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile?

The canonical SMILES for 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile is C=CCOc1ccc(C2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1.

What is the InChIKey of 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile?

The InChIKey is FYYYVLDQOHHBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-6-11-29-16-9-7-15(8-10-16)20-17(14-24)22(25)27(26(4)5)18-12-23(2,3)13-19(28)21(18)20/h6-10,20H,1,11-13,25H2,2-5H3.

What are the key properties of 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile?

2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile has a molecular weight of 392.50 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile is sourced from PubChem (CID 3579738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).