N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]propanamide

C23H20Cl2N4O2 — CID 56977731

About N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]propanamide

N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]propanamide (PubChem CID 56977731) has the molecular formula C23H20Cl2N4O2 and a molecular weight of 455.35 g/mol. Its IUPAC name is N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]propanamide.

Molecular Properties

• Compound Name: N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]propanamide
• PubChem CID: 56977731
• Molecular Formula: C23H20Cl2N4O2
• Molecular Weight: 455.35 g/mol
• Exact Mass: 454.10
• IUPAC Name: N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]propanamide
• SMILES: CCC(=O)Nc1ccc(Cl)c(COc2cccc3c(-n4ccnc4)cc(C)nc23)c1Cl
• InChI: InChI=1S/C23H20Cl2N4O2/c1-3-21(30)28-18-8-7-17(24)16(22(18)25)12-31-20-6-4-5-15-19(29-10-9-26-13-29)11-14(2)27-23(15)20/h4-11,13H,3,12H2,1-2H3,(H,28,30)
• InChIKey: QHMLKBOWIWEBLG-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.35
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]propanamide?

The IUPAC name of N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]propanamide (CID 56977731) is N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]propanamide.

What is the SMILES notation for N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]propanamide?

The canonical SMILES for N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]propanamide is CCC(=O)Nc1ccc(Cl)c(COc2cccc3c(-n4ccnc4)cc(C)nc23)c1Cl.

What is the InChIKey of N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]propanamide?

The InChIKey is QHMLKBOWIWEBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O2/c1-3-21(30)28-18-8-7-17(24)16(22(18)25)12-31-20-6-4-5-15-19(29-10-9-26-13-29)11-14(2)27-23(15)20/h4-11,13H,3,12H2,1-2H3,(H,28,30).

What are the key properties of N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]propanamide?

N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]propanamide has a molecular weight of 455.35 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]propanamide is sourced from PubChem (CID 56977731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).