1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one

C14H16N4O — CID 62490120

IUPAC1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2ccc(N)c3cccnc23)C1=O
InChIInChI=1S/C14H16N4O/c1-17-7-8-18(14(17)19)9-10-4-5-12(15)11-3-2-6-16-13(10)11/h2-6H,7-9,15H2,1H3
InChIKeyAEFCAUMYYBKBRS-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.68
Rot. Bonds2

About 1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one

1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one (PubChem CID 62490120) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one
PubChem CID62490120
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2ccc(N)c3cccnc23)C1=O
InChIInChI=1S/C14H16N4O/c1-17-7-8-18(14(17)19)9-10-4-5-12(15)11-3-2-6-16-13(10)11/h2-6H,7-9,15H2,1H3
InChIKeyAEFCAUMYYBKBRS-UHFFFAOYSA-N
XLogP1.68
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-aminoquinolin-8-yl)methyl]-4-methylpyrazine-2,3-dione
CID 62929072
4-[(5-aminoquinolin-8-yl)methyl]morpholine-3,5-dione
CID 61311549
8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine
CID 43375420
3-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbothioamide
CID 62894984
8-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-5-amine
CID 43585624
1-[(5-aminoquinolin-8-yl)methyl]-3-propan-2-ylimidazol-2-one
CID 80579624
8-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-5-amine
CID 102882733
1-[(5-aminoquinolin-8-yl)methyl]-4,6-dimethylpyrimidin-2-one
CID 43376166
8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine
CID 43375606
1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol
CID 106835491
1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol
CID 114677852
8-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)quinolin-5-amine
CID 63015654

Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one (CID 62490120) is 1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one is CN1CCN(Cc2ccc(N)c3cccnc23)C1=O.
What is the InChIKey of 1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one?
The InChIKey is AEFCAUMYYBKBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-17-7-8-18(14(17)19)9-10-4-5-12(15)11-3-2-6-16-13(10)11/h2-6H,7-9,15H2,1H3.
What are the key properties of 1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one?
1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one has a molecular weight of 256.31 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 62490120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).