2,4-dichloro-N-[3-methyl-4-[3-(2-methylprop-2-enyl)-2-oxoimidazolidin-1-yl]quinolin-8-yl]pyridine-3-carboxamide

C23H21Cl2N5O2 — CID 139782270

About 2,4-dichloro-N-[3-methyl-4-[3-(2-methylprop-2-enyl)-2-oxoimidazolidin-1-yl]quinolin-8-yl]pyridine-3-carboxamide

2,4-dichloro-N-[3-methyl-4-[3-(2-methylprop-2-enyl)-2-oxoimidazolidin-1-yl]quinolin-8-yl]pyridine-3-carboxamide (PubChem CID 139782270) has the molecular formula C23H21Cl2N5O2 and a molecular weight of 470.36 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-methyl-4-[3-(2-methylprop-2-enyl)-2-oxoimidazolidin-1-yl]quinolin-8-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[3-methyl-4-[3-(2-methylprop-2-enyl)-2-oxoimidazolidin-1-yl]quinolin-8-yl]pyridine-3-carboxamide
• PubChem CID: 139782270
• Molecular Formula: C23H21Cl2N5O2
• Molecular Weight: 470.36 g/mol
• Exact Mass: 469.11
• IUPAC Name: 2,4-dichloro-N-[3-methyl-4-[3-(2-methylprop-2-enyl)-2-oxoimidazolidin-1-yl]quinolin-8-yl]pyridine-3-carboxamide
• SMILES: C=C(C)CN1CCN(c2c(C)cnc3c(NC(=O)c4c(Cl)ccnc4Cl)cccc23)C1=O
• InChI: InChI=1S/C23H21Cl2N5O2/c1-13(2)12-29-9-10-30(23(29)32)20-14(3)11-27-19-15(20)5-4-6-17(19)28-22(31)18-16(24)7-8-26-21(18)25/h4-8,11H,1,9-10,12H2,2-3H3,(H,28,31)
• InChIKey: DGRZQEYBRXHMJQ-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.36
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-methyl-4-[3-(2-methylprop-2-enyl)-2-oxoimidazolidin-1-yl]quinolin-8-yl]pyridine-3-carboxamide?

The IUPAC name of 2,4-dichloro-N-[3-methyl-4-[3-(2-methylprop-2-enyl)-2-oxoimidazolidin-1-yl]quinolin-8-yl]pyridine-3-carboxamide (CID 139782270) is 2,4-dichloro-N-[3-methyl-4-[3-(2-methylprop-2-enyl)-2-oxoimidazolidin-1-yl]quinolin-8-yl]pyridine-3-carboxamide.

What is the SMILES notation for 2,4-dichloro-N-[3-methyl-4-[3-(2-methylprop-2-enyl)-2-oxoimidazolidin-1-yl]quinolin-8-yl]pyridine-3-carboxamide?

The canonical SMILES for 2,4-dichloro-N-[3-methyl-4-[3-(2-methylprop-2-enyl)-2-oxoimidazolidin-1-yl]quinolin-8-yl]pyridine-3-carboxamide is C=C(C)CN1CCN(c2c(C)cnc3c(NC(=O)c4c(Cl)ccnc4Cl)cccc23)C1=O.

What is the InChIKey of 2,4-dichloro-N-[3-methyl-4-[3-(2-methylprop-2-enyl)-2-oxoimidazolidin-1-yl]quinolin-8-yl]pyridine-3-carboxamide?

The InChIKey is DGRZQEYBRXHMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5O2/c1-13(2)12-29-9-10-30(23(29)32)20-14(3)11-27-19-15(20)5-4-6-17(19)28-22(31)18-16(24)7-8-26-21(18)25/h4-8,11H,1,9-10,12H2,2-3H3,(H,28,31).

What are the key properties of 2,4-dichloro-N-[3-methyl-4-[3-(2-methylprop-2-enyl)-2-oxoimidazolidin-1-yl]quinolin-8-yl]pyridine-3-carboxamide?

2,4-dichloro-N-[3-methyl-4-[3-(2-methylprop-2-enyl)-2-oxoimidazolidin-1-yl]quinolin-8-yl]pyridine-3-carboxamide has a molecular weight of 470.36 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[3-methyl-4-[3-(2-methylprop-2-enyl)-2-oxoimidazolidin-1-yl]quinolin-8-yl]pyridine-3-carboxamide is sourced from PubChem (CID 139782270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).