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

C16H18N4O — CID 80579624

IUPAC1-[(5-aminoquinolin-8-yl)methyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(Cc2ccc(N)c3cccnc23)c1=O
InChIInChI=1S/C16H18N4O/c1-11(2)20-9-8-19(16(20)21)10-12-5-6-14(17)13-4-3-7-18-15(12)13/h3-9,11H,10,17H2,1-2H3
InChIKeyCRKXOGOLFPURJO-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.41
Rot. Bonds3

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

1-[(5-aminoquinolin-8-yl)methyl]-3-propan-2-ylimidazol-2-one (PubChem CID 80579624) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-[(5-aminoquinolin-8-yl)methyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[(5-aminoquinolin-8-yl)methyl]-3-propan-2-ylimidazol-2-one
PubChem CID80579624
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-[(5-aminoquinolin-8-yl)methyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(Cc2ccc(N)c3cccnc23)c1=O
InChIInChI=1S/C16H18N4O/c1-11(2)20-9-8-19(16(20)21)10-12-5-6-14(17)13-4-3-7-18-15(12)13/h3-9,11H,10,17H2,1-2H3
InChIKeyCRKXOGOLFPURJO-UHFFFAOYSA-N
XLogP2.41
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
8-(propan-2-ylsulfinylmethyl)quinolin-5-amine
CID 61289256
3-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]pyridine-2-carbonitrile
CID 80581155
1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one
CID 62490120
1-[(5-aminoquinolin-8-yl)methyl]-5-fluoropyrimidine-2,4-dione
CID 63556991
1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol
CID 106835491
4-[(5-aminoquinolin-8-yl)methyl]morpholine-3,5-dione
CID 61311549
8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine
CID 43375420
1-[(5-aminoquinolin-8-yl)methyl]-4,6-dimethylpyrimidin-2-one
CID 43376166
1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol
CID 62334736
8-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-5-amine
CID 43585624
1-[(3-aminophenyl)methyl]-3-propan-2-ylimidazol-2-one
CID 80579355

Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminoquinolin-8-yl)methyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[(5-aminoquinolin-8-yl)methyl]-3-propan-2-ylimidazol-2-one (CID 80579624) is 1-[(5-aminoquinolin-8-yl)methyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[(5-aminoquinolin-8-yl)methyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[(5-aminoquinolin-8-yl)methyl]-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(Cc2ccc(N)c3cccnc23)c1=O.
What is the InChIKey of 1-[(5-aminoquinolin-8-yl)methyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is CRKXOGOLFPURJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11(2)20-9-8-19(16(20)21)10-12-5-6-14(17)13-4-3-7-18-15(12)13/h3-9,11H,10,17H2,1-2H3.
What are the key properties of 1-[(5-aminoquinolin-8-yl)methyl]-3-propan-2-ylimidazol-2-one?
1-[(5-aminoquinolin-8-yl)methyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 282.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminoquinolin-8-yl)methyl]-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 80579624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).