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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Related Compounds

Nanterinone
CID 71305
6-(2-Imidazol-1-yl-vinyl)-1H-quinolin-2-one
CID 14373279
7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one
CID 156596361
3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(3-fluorophenyl)propanamide
CID 9862335
11H-Pyrido(2,1-b)quinazoline-8-carboxamide, N-(4-(1H-imidazol-1-yl)butyl)-2-(1-methylethyl)-11-oxo-, dihydrochloride
CID 24844985
N-benzyl-7-[3-(1H-imidazol-1-yl)propyl]-6-imino-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3240704
2-[2-(1-Methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-4(3h)-quinazolinone
CID 136147462
4-((3-(1H-imidazol-1-yl)propyl)amino)-1-ethyl-3-nitroquinolin-2(1H)-one
CID 3517082
3-(3-Imidazol-1-ylpropyl)-2-methylquinazolin-4-one
CID 742176
1-(2,6-Diisopropyl-phenyl)-3-(1-dodecyl-1H-imidazol-4-yl)-urea
CID 10575716
2-Amino-N-(3-imidazol-1-yl-butyl)-5-methyl-benzamide
CID 13952764
2-hydroxy-3-[3-(1H-imidazol-1-yl)propyl]quinazolin-4(3H)-one
CID 13952769

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).