[2-(aminomethyl)-4-pyridinyl]-quinolin-3-ylmethanone

C16H13N3O — CID 116601765

IUPAC[2-(aminomethyl)-4-pyridinyl]-quinolin-3-ylmethanone
SMILESNCc1cc(C(=O)c2cnc3ccccc3c2)ccn1
InChIInChI=1S/C16H13N3O/c17-9-14-8-12(5-6-18-14)16(20)13-7-11-3-1-2-4-15(11)19-10-13/h1-8,10H,9,17H2
InChIKeyVLWGJDZOLVXXMU-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.32
Rot. Bonds3

About [2-(aminomethyl)-4-pyridinyl]-quinolin-3-ylmethanone

[2-(aminomethyl)-4-pyridinyl]-quinolin-3-ylmethanone (PubChem CID 116601765) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is [2-(aminomethyl)-4-pyridinyl]-quinolin-3-ylmethanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-pyridinyl]-quinolin-3-ylmethanone
PubChem CID116601765
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name[2-(aminomethyl)-4-pyridinyl]-quinolin-3-ylmethanone
SMILESNCc1cc(C(=O)c2cnc3ccccc3c2)ccn1
InChIInChI=1S/C16H13N3O/c17-9-14-8-12(5-6-18-14)16(20)13-7-11-3-1-2-4-15(11)19-10-13/h1-8,10H,9,17H2
InChIKeyVLWGJDZOLVXXMU-UHFFFAOYSA-N
XLogP2.32
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-pyridinyl]-quinolin-3-ylmethanone?
The IUPAC name of [2-(aminomethyl)-4-pyridinyl]-quinolin-3-ylmethanone (CID 116601765) is [2-(aminomethyl)-4-pyridinyl]-quinolin-3-ylmethanone.
What is the SMILES notation for [2-(aminomethyl)-4-pyridinyl]-quinolin-3-ylmethanone?
The canonical SMILES for [2-(aminomethyl)-4-pyridinyl]-quinolin-3-ylmethanone is NCc1cc(C(=O)c2cnc3ccccc3c2)ccn1.
What is the InChIKey of [2-(aminomethyl)-4-pyridinyl]-quinolin-3-ylmethanone?
The InChIKey is VLWGJDZOLVXXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-9-14-8-12(5-6-18-14)16(20)13-7-11-3-1-2-4-15(11)19-10-13/h1-8,10H,9,17H2.
What are the key properties of [2-(aminomethyl)-4-pyridinyl]-quinolin-3-ylmethanone?
[2-(aminomethyl)-4-pyridinyl]-quinolin-3-ylmethanone has a molecular weight of 263.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-pyridinyl]-quinolin-3-ylmethanone is sourced from PubChem (CID 116601765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).