1-(3-aminophenyl)-3-quinolin-4-ylpropan-2-one

C18H16N2O — CID 116577142

IUPAC1-(3-aminophenyl)-3-quinolin-4-ylpropan-2-one
SMILESNc1cccc(CC(=O)Cc2ccnc3ccccc23)c1
InChIInChI=1S/C18H16N2O/c19-15-5-3-4-13(10-15)11-16(21)12-14-8-9-20-18-7-2-1-6-17(14)18/h1-10H,11-12,19H2
InChIKeyZWJFWBNGMGMUDQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.17
Rot. Bonds4

About 1-(3-aminophenyl)-3-quinolin-4-ylpropan-2-one

1-(3-aminophenyl)-3-quinolin-4-ylpropan-2-one (PubChem CID 116577142) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-quinolin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-quinolin-4-ylpropan-2-one
PubChem CID116577142
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-(3-aminophenyl)-3-quinolin-4-ylpropan-2-one
SMILESNc1cccc(CC(=O)Cc2ccnc3ccccc23)c1
InChIInChI=1S/C18H16N2O/c19-15-5-3-4-13(10-15)11-16(21)12-14-8-9-20-18-7-2-1-6-17(14)18/h1-10H,11-12,19H2
InChIKeyZWJFWBNGMGMUDQ-UHFFFAOYSA-N
XLogP3.17
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.17
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-quinolin-4-ylbutan-2-one
CID 15695851
1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one
CID 116577080
1-(3-aminophenyl)-3-(1-methylimidazol-2-yl)propan-2-one
CID 116577218
2-(3-methylphenyl)-N-(quinolin-4-ylmethyl)acetamide
CID 110734253
1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one
CID 103543731
3-methyl-5-(quinolin-4-ylmethyl)aniline
CID 107579575
2-(3-fluorophenyl)-1-quinolin-4-ylethanone
CID 105080568
1-(2-amino-5-bromophenyl)-2-quinolin-4-ylethanone
CID 82697873
quinolin-4-ylmethyl hydrogen carbonate
CID 154246402
1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone
CID 116581336
1-cyclohexyl-3-quinolin-4-ylpropan-2-one
CID 114979761
1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone
CID 116601824

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-quinolin-4-ylpropan-2-one?
The IUPAC name of 1-(3-aminophenyl)-3-quinolin-4-ylpropan-2-one (CID 116577142) is 1-(3-aminophenyl)-3-quinolin-4-ylpropan-2-one.
What is the SMILES notation for 1-(3-aminophenyl)-3-quinolin-4-ylpropan-2-one?
The canonical SMILES for 1-(3-aminophenyl)-3-quinolin-4-ylpropan-2-one is Nc1cccc(CC(=O)Cc2ccnc3ccccc23)c1.
What is the InChIKey of 1-(3-aminophenyl)-3-quinolin-4-ylpropan-2-one?
The InChIKey is ZWJFWBNGMGMUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-15-5-3-4-13(10-15)11-16(21)12-14-8-9-20-18-7-2-1-6-17(14)18/h1-10H,11-12,19H2.
What are the key properties of 1-(3-aminophenyl)-3-quinolin-4-ylpropan-2-one?
1-(3-aminophenyl)-3-quinolin-4-ylpropan-2-one has a molecular weight of 276.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-quinolin-4-ylpropan-2-one is sourced from PubChem (CID 116577142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).