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

C17H15N3O — CID 116601824

IUPAC1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone
SMILESNCc1cc(C(=O)Cc2ccnc3ccccc23)ccn1
InChIInChI=1S/C17H15N3O/c18-11-14-9-13(6-7-19-14)17(21)10-12-5-8-20-16-4-2-1-3-15(12)16/h1-9H,10-11,18H2
InChIKeyLNZTVRZFXRFXBC-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.51
Rot. Bonds4

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

1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone (PubChem CID 116601824) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone
PubChem CID116601824
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone
SMILESNCc1cc(C(=O)Cc2ccnc3ccccc23)ccn1
InChIInChI=1S/C17H15N3O/c18-11-14-9-13(6-7-19-14)17(21)10-12-5-8-20-16-4-2-1-3-15(12)16/h1-9H,10-11,18H2
InChIKeyLNZTVRZFXRFXBC-UHFFFAOYSA-N
XLogP2.51
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-iodophenyl)-2-quinolin-4-ylethanone
CID 114979738
1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanone
CID 105109077
1-[2-(aminomethyl)-4-pyridinyl]-2-(3,5-difluorophenyl)ethanone
CID 105412051
1-[2-(aminomethyl)-4-pyridinyl]-2-(2-bromo-5-fluorophenyl)ethanone
CID 116601812
1-(2-amino-5-bromophenyl)-2-quinolin-4-ylethanone
CID 82697873
1-[2-(aminomethyl)-4-pyridinyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116601831
1-(2-iodophenyl)-2-quinolin-4-ylethanone
CID 114979720
1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone
CID 116581336
1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone
CID 116601798
2-(aminomethyl)pyridine-4-carboxamide;hydrochloride
CID 135395084
1-[2-(aminomethyl)-4-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116601811
[2-(aminomethyl)-4-pyridinyl]-quinolin-3-ylmethanone
CID 116601765

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone?
The IUPAC name of 1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone (CID 116601824) is 1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone?
The canonical SMILES for 1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone is NCc1cc(C(=O)Cc2ccnc3ccccc23)ccn1.
What is the InChIKey of 1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone?
The InChIKey is LNZTVRZFXRFXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-11-14-9-13(6-7-19-14)17(21)10-12-5-8-20-16-4-2-1-3-15(12)16/h1-9H,10-11,18H2.
What are the key properties of 1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone?
1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone has a molecular weight of 277.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone is sourced from PubChem (CID 116601824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).