3-[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]-1-methylpyrrolidin-2-one

C18H18N4O2 — CID 146038802

IUPAC3-[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]-1-methylpyrrolidin-2-one
SMILESCOc1cccc2ccc(-c3nccn3C3CCN(C)C3=O)nc12
InChIInChI=1S/C18H18N4O2/c1-21-10-8-14(18(21)23)22-11-9-19-17(22)13-7-6-12-4-3-5-15(24-2)16(12)20-13/h3-7,9,11,14H,8,10H2,1-2H3
InChIKeyVMSIZEZKDIJXDU-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.51
Rot. Bonds3

About 3-[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]-1-methylpyrrolidin-2-one

3-[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]-1-methylpyrrolidin-2-one (PubChem CID 146038802) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]-1-methylpyrrolidin-2-one
PubChem CID146038802
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]-1-methylpyrrolidin-2-one
SMILESCOc1cccc2ccc(-c3nccn3C3CCN(C)C3=O)nc12
InChIInChI=1S/C18H18N4O2/c1-21-10-8-14(18(21)23)22-11-9-19-17(22)13-7-6-12-4-3-5-15(24-2)16(12)20-13/h3-7,9,11,14H,8,10H2,1-2H3
InChIKeyVMSIZEZKDIJXDU-UHFFFAOYSA-N
XLogP2.51
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 165422015
3-[(8-methoxyquinolin-2-yl)amino]-1-methylpyrrolidin-2-one
CID 45229761
8-methoxy-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]quinoline
CID 56910045
3-[2-(2-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 154563903
3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one
CID 106258949
3-[[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 146046045
1-methyl-3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]pyrrolidin-2-one
CID 146040356
1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one
CID 155914149
4-(8-methoxyquinolin-2-yl)-1-methylpiperazin-2-one
CID 39736267
4-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid
CID 166615913
1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole
CID 155909433
3-[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 167783974

Frequently Asked Questions

What is the IUPAC name of 3-[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]-1-methylpyrrolidin-2-one (CID 146038802) is 3-[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]-1-methylpyrrolidin-2-one is COc1cccc2ccc(-c3nccn3C3CCN(C)C3=O)nc12.
What is the InChIKey of 3-[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]-1-methylpyrrolidin-2-one?
The InChIKey is VMSIZEZKDIJXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-21-10-8-14(18(21)23)22-11-9-19-17(22)13-7-6-12-4-3-5-15(24-2)16(12)20-13/h3-7,9,11,14H,8,10H2,1-2H3.
What are the key properties of 3-[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]-1-methylpyrrolidin-2-one?
3-[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]-1-methylpyrrolidin-2-one has a molecular weight of 322.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 146038802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).