2-imidazol-1-yl-3-[(2-methylpropan-2-yl)oxy]-N-(6-phenylquinolin-3-yl)propanamide

C25H26N4O2 — CID 178080817

IUPAC2-imidazol-1-yl-3-[(2-methylpropan-2-yl)oxy]-N-(6-phenylquinolin-3-yl)propanamide
SMILESCC(C)(C)OCC(C(=O)Nc1cnc2ccc(-c3ccccc3)cc2c1)n1ccnc1
InChIInChI=1S/C25H26N4O2/c1-25(2,3)31-16-23(29-12-11-26-17-29)24(30)28-21-14-20-13-19(9-10-22(20)27-15-21)18-7-5-4-6-8-18/h4-15,17,23H,16H2,1-3H3,(H,28,30)
InChIKeyLPSUKGCTIRUTIM-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.09
Rot. Bonds6

About 2-imidazol-1-yl-3-[(2-methylpropan-2-yl)oxy]-N-(6-phenylquinolin-3-yl)propanamide

2-imidazol-1-yl-3-[(2-methylpropan-2-yl)oxy]-N-(6-phenylquinolin-3-yl)propanamide (PubChem CID 178080817) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-imidazol-1-yl-3-[(2-methylpropan-2-yl)oxy]-N-(6-phenylquinolin-3-yl)propanamide.

Molecular Properties

Compound Name2-imidazol-1-yl-3-[(2-methylpropan-2-yl)oxy]-N-(6-phenylquinolin-3-yl)propanamide
PubChem CID178080817
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-imidazol-1-yl-3-[(2-methylpropan-2-yl)oxy]-N-(6-phenylquinolin-3-yl)propanamide
SMILESCC(C)(C)OCC(C(=O)Nc1cnc2ccc(-c3ccccc3)cc2c1)n1ccnc1
InChIInChI=1S/C25H26N4O2/c1-25(2,3)31-16-23(29-12-11-26-17-29)24(30)28-21-14-20-13-19(9-10-22(20)27-15-21)18-7-5-4-6-8-18/h4-15,17,23H,16H2,1-3H3,(H,28,30)
InChIKeyLPSUKGCTIRUTIM-UHFFFAOYSA-N
XLogP5.09
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-3-[(2-methylpropan-2-yl)oxy]-N-(6-phenylquinolin-3-yl)propanamide?
The IUPAC name of 2-imidazol-1-yl-3-[(2-methylpropan-2-yl)oxy]-N-(6-phenylquinolin-3-yl)propanamide (CID 178080817) is 2-imidazol-1-yl-3-[(2-methylpropan-2-yl)oxy]-N-(6-phenylquinolin-3-yl)propanamide.
What is the SMILES notation for 2-imidazol-1-yl-3-[(2-methylpropan-2-yl)oxy]-N-(6-phenylquinolin-3-yl)propanamide?
The canonical SMILES for 2-imidazol-1-yl-3-[(2-methylpropan-2-yl)oxy]-N-(6-phenylquinolin-3-yl)propanamide is CC(C)(C)OCC(C(=O)Nc1cnc2ccc(-c3ccccc3)cc2c1)n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-3-[(2-methylpropan-2-yl)oxy]-N-(6-phenylquinolin-3-yl)propanamide?
The InChIKey is LPSUKGCTIRUTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-25(2,3)31-16-23(29-12-11-26-17-29)24(30)28-21-14-20-13-19(9-10-22(20)27-15-21)18-7-5-4-6-8-18/h4-15,17,23H,16H2,1-3H3,(H,28,30).
What are the key properties of 2-imidazol-1-yl-3-[(2-methylpropan-2-yl)oxy]-N-(6-phenylquinolin-3-yl)propanamide?
2-imidazol-1-yl-3-[(2-methylpropan-2-yl)oxy]-N-(6-phenylquinolin-3-yl)propanamide has a molecular weight of 414.51 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-3-[(2-methylpropan-2-yl)oxy]-N-(6-phenylquinolin-3-yl)propanamide is sourced from PubChem (CID 178080817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).