3-[[3-(2-propan-2-ylimidazol-1-yl)propylamino]methyl]-1H-quinolin-2-one

C19H24N4O — CID 131903035

IUPAC3-[[3-(2-propan-2-ylimidazol-1-yl)propylamino]methyl]-1H-quinolin-2-one
SMILESCC(C)c1nccn1CCCNCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C19H24N4O/c1-14(2)18-21-9-11-23(18)10-5-8-20-13-16-12-15-6-3-4-7-17(15)22-19(16)24/h3-4,6-7,9,11-12,14,20H,5,8,10,13H2,1-2H3,(H,22,24)
InChIKeyZEQBUYGKFYHIOE-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.03
Rot. Bonds7

About 3-[[3-(2-propan-2-ylimidazol-1-yl)propylamino]methyl]-1H-quinolin-2-one

3-[[3-(2-propan-2-ylimidazol-1-yl)propylamino]methyl]-1H-quinolin-2-one (PubChem CID 131903035) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-[[3-(2-propan-2-ylimidazol-1-yl)propylamino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[3-(2-propan-2-ylimidazol-1-yl)propylamino]methyl]-1H-quinolin-2-one
PubChem CID131903035
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-[[3-(2-propan-2-ylimidazol-1-yl)propylamino]methyl]-1H-quinolin-2-one
SMILESCC(C)c1nccn1CCCNCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C19H24N4O/c1-14(2)18-21-9-11-23(18)10-5-8-20-13-16-12-15-6-3-4-7-17(15)22-19(16)24/h3-4,6-7,9,11-12,14,20H,5,8,10,13H2,1-2H3,(H,22,24)
InChIKeyZEQBUYGKFYHIOE-UHFFFAOYSA-N
XLogP3.03
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-propan-2-ylimidazol-1-yl)propylamino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[3-(2-propan-2-ylimidazol-1-yl)propylamino]methyl]-1H-quinolin-2-one (CID 131903035) is 3-[[3-(2-propan-2-ylimidazol-1-yl)propylamino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[3-(2-propan-2-ylimidazol-1-yl)propylamino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[3-(2-propan-2-ylimidazol-1-yl)propylamino]methyl]-1H-quinolin-2-one is CC(C)c1nccn1CCCNCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[[3-(2-propan-2-ylimidazol-1-yl)propylamino]methyl]-1H-quinolin-2-one?
The InChIKey is ZEQBUYGKFYHIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14(2)18-21-9-11-23(18)10-5-8-20-13-16-12-15-6-3-4-7-17(15)22-19(16)24/h3-4,6-7,9,11-12,14,20H,5,8,10,13H2,1-2H3,(H,22,24).
What are the key properties of 3-[[3-(2-propan-2-ylimidazol-1-yl)propylamino]methyl]-1H-quinolin-2-one?
3-[[3-(2-propan-2-ylimidazol-1-yl)propylamino]methyl]-1H-quinolin-2-one has a molecular weight of 324.43 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-propan-2-ylimidazol-1-yl)propylamino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 131903035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).