2-(aminomethyl)-6-pyrazol-1-yl-1H-quinolin-4-one

C13H12N4O — CID 130302152

IUPAC2-(aminomethyl)-6-pyrazol-1-yl-1H-quinolin-4-one
SMILESNCc1cc(=O)c2cc(-n3cccn3)ccc2[nH]1
InChIInChI=1S/C13H12N4O/c14-8-9-6-13(18)11-7-10(2-3-12(11)16-9)17-5-1-4-15-17/h1-7H,8,14H2,(H,16,18)
InChIKeyCGOKCTLKMJRXLC-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.17
Rot. Bonds2

About 2-(aminomethyl)-6-pyrazol-1-yl-1H-quinolin-4-one

2-(aminomethyl)-6-pyrazol-1-yl-1H-quinolin-4-one (PubChem CID 130302152) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-(aminomethyl)-6-pyrazol-1-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-6-pyrazol-1-yl-1H-quinolin-4-one
PubChem CID130302152
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-(aminomethyl)-6-pyrazol-1-yl-1H-quinolin-4-one
SMILESNCc1cc(=O)c2cc(-n3cccn3)ccc2[nH]1
InChIInChI=1S/C13H12N4O/c14-8-9-6-13(18)11-7-10(2-3-12(11)16-9)17-5-1-4-15-17/h1-7H,8,14H2,(H,16,18)
InChIKeyCGOKCTLKMJRXLC-UHFFFAOYSA-N
XLogP1.17
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-pyrazol-1-yl-1H-quinolin-4-one?
The IUPAC name of 2-(aminomethyl)-6-pyrazol-1-yl-1H-quinolin-4-one (CID 130302152) is 2-(aminomethyl)-6-pyrazol-1-yl-1H-quinolin-4-one.
What is the SMILES notation for 2-(aminomethyl)-6-pyrazol-1-yl-1H-quinolin-4-one?
The canonical SMILES for 2-(aminomethyl)-6-pyrazol-1-yl-1H-quinolin-4-one is NCc1cc(=O)c2cc(-n3cccn3)ccc2[nH]1.
What is the InChIKey of 2-(aminomethyl)-6-pyrazol-1-yl-1H-quinolin-4-one?
The InChIKey is CGOKCTLKMJRXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-8-9-6-13(18)11-7-10(2-3-12(11)16-9)17-5-1-4-15-17/h1-7H,8,14H2,(H,16,18).
What are the key properties of 2-(aminomethyl)-6-pyrazol-1-yl-1H-quinolin-4-one?
2-(aminomethyl)-6-pyrazol-1-yl-1H-quinolin-4-one has a molecular weight of 240.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-pyrazol-1-yl-1H-quinolin-4-one is sourced from PubChem (CID 130302152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).