2-(aminomethyl)-1H-quinolin-4-one

C10H10N2O — CID 82503351

IUPAC2-(aminomethyl)-1H-quinolin-4-one
SMILESNCc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C10H10N2O/c11-6-7-5-10(13)8-3-1-2-4-9(8)12-7/h1-5H,6,11H2,(H,12,13)
InChIKeyUAXWFGJUBIDUNN-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.99
Rot. Bonds1

About 2-(aminomethyl)-1H-quinolin-4-one

2-(aminomethyl)-1H-quinolin-4-one (PubChem CID 82503351) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(aminomethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-1H-quinolin-4-one
PubChem CID82503351
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-(aminomethyl)-1H-quinolin-4-one
SMILESNCc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C10H10N2O/c11-6-7-5-10(13)8-3-1-2-4-9(8)12-7/h1-5H,6,11H2,(H,12,13)
InChIKeyUAXWFGJUBIDUNN-UHFFFAOYSA-N
XLogP0.99
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1H-quinolin-4-one?
The IUPAC name of 2-(aminomethyl)-1H-quinolin-4-one (CID 82503351) is 2-(aminomethyl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(aminomethyl)-1H-quinolin-4-one?
The canonical SMILES for 2-(aminomethyl)-1H-quinolin-4-one is NCc1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-(aminomethyl)-1H-quinolin-4-one?
The InChIKey is UAXWFGJUBIDUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-6-7-5-10(13)8-3-1-2-4-9(8)12-7/h1-5H,6,11H2,(H,12,13).
What are the key properties of 2-(aminomethyl)-1H-quinolin-4-one?
2-(aminomethyl)-1H-quinolin-4-one has a molecular weight of 174.20 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1H-quinolin-4-one is sourced from PubChem (CID 82503351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).