[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1H-imidazole-4-carboxylate

C24H25N3O3 — CID 166192654

IUPAC[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1H-imidazole-4-carboxylate
SMILESCc1[nH]c(-c2ccccc2)nc1C(=O)OC(C)C(=O)N1c2ccccc2CCC1C
InChIInChI=1S/C24H25N3O3/c1-15-13-14-18-9-7-8-12-20(18)27(15)23(28)17(3)30-24(29)21-16(2)25-22(26-21)19-10-5-4-6-11-19/h4-12,15,17H,13-14H2,1-3H3,(H,25,26)
InChIKeyOZQYAGBHZNZTNX-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.30
Rot. Bonds4

About [1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1H-imidazole-4-carboxylate

[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1H-imidazole-4-carboxylate (PubChem CID 166192654) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is [1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Name[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1H-imidazole-4-carboxylate
PubChem CID166192654
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1H-imidazole-4-carboxylate
SMILESCc1[nH]c(-c2ccccc2)nc1C(=O)OC(C)C(=O)N1c2ccccc2CCC1C
InChIInChI=1S/C24H25N3O3/c1-15-13-14-18-9-7-8-12-20(18)27(15)23(28)17(3)30-24(29)21-16(2)25-22(26-21)19-10-5-4-6-11-19/h4-12,15,17H,13-14H2,1-3H3,(H,25,26)
InChIKeyOZQYAGBHZNZTNX-UHFFFAOYSA-N
XLogP4.30
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1H-imidazole-4-carboxylate?
The IUPAC name of [1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1H-imidazole-4-carboxylate (CID 166192654) is [1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for [1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1H-imidazole-4-carboxylate?
The canonical SMILES for [1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1H-imidazole-4-carboxylate is Cc1[nH]c(-c2ccccc2)nc1C(=O)OC(C)C(=O)N1c2ccccc2CCC1C.
What is the InChIKey of [1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1H-imidazole-4-carboxylate?
The InChIKey is OZQYAGBHZNZTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-15-13-14-18-9-7-8-12-20(18)27(15)23(28)17(3)30-24(29)21-16(2)25-22(26-21)19-10-5-4-6-11-19/h4-12,15,17H,13-14H2,1-3H3,(H,25,26).
What are the key properties of [1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1H-imidazole-4-carboxylate?
[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1H-imidazole-4-carboxylate has a molecular weight of 403.48 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 166192654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).