1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone

C18H16N2O — CID 116548351

IUPAC1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone
SMILESNCc1ccc(C(=O)Cc2ccc3ccccc3n2)cc1
InChIInChI=1S/C18H16N2O/c19-12-13-5-7-15(8-6-13)18(21)11-16-10-9-14-3-1-2-4-17(14)20-16/h1-10H,11-12,19H2
InChIKeyIYJMXULVOWDCRY-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.12
Rot. Bonds4

About 1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone

1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone (PubChem CID 116548351) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone
PubChem CID116548351
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone
SMILESNCc1ccc(C(=O)Cc2ccc3ccccc3n2)cc1
InChIInChI=1S/C18H16N2O/c19-12-13-5-7-15(8-6-13)18(21)11-16-10-9-14-3-1-2-4-17(14)20-16/h1-10H,11-12,19H2
InChIKeyIYJMXULVOWDCRY-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-di(quinolin-2-yl)ethanone
CID 24973307
1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone
CID 28935285
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
1-(5-fluoro-3-pyridinyl)-2-quinolin-2-ylethanone
CID 105108919
N-(2-aminoethyl)-2-quinolin-2-ylacetamide
CID 110464134
4-amino-3-methyl-1-quinolin-2-ylbutan-2-one
CID 116564666
2-(8-hydroxyquinolin-2-yl)-1-phenylethanone
CID 174915828
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
8-amino-1-quinolin-2-yloctan-2-one
CID 116551634
1-(cyclohepten-1-yl)-2-quinolin-2-ylethanone
CID 103450531
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
[2-oxo-2-(4-propylphenyl)ethyl] 3-quinolin-2-ylpropanoate
CID 55367871

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone (CID 116548351) is 1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone is NCc1ccc(C(=O)Cc2ccc3ccccc3n2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone?
The InChIKey is IYJMXULVOWDCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-12-13-5-7-15(8-6-13)18(21)11-16-10-9-14-3-1-2-4-17(14)20-16/h1-10H,11-12,19H2.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone?
1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone has a molecular weight of 276.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone is sourced from PubChem (CID 116548351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).