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

C14H14N4O — CID 130302194

IUPAC2-(aminomethyl)-6-(1-methylpyrazol-4-yl)-1H-quinolin-4-one
SMILESCn1cc(-c2ccc3[nH]c(CN)cc(=O)c3c2)cn1
InChIInChI=1S/C14H14N4O/c1-18-8-10(7-16-18)9-2-3-13-12(4-9)14(19)5-11(6-15)17-13/h2-5,7-8H,6,15H2,1H3,(H,17,19)
InChIKeyODRAPGSREWKVTJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.39
Rot. Bonds2

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

2-(aminomethyl)-6-(1-methylpyrazol-4-yl)-1H-quinolin-4-one (PubChem CID 130302194) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(aminomethyl)-6-(1-methylpyrazol-4-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-6-(1-methylpyrazol-4-yl)-1H-quinolin-4-one
PubChem CID130302194
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-(aminomethyl)-6-(1-methylpyrazol-4-yl)-1H-quinolin-4-one
SMILESCn1cc(-c2ccc3[nH]c(CN)cc(=O)c3c2)cn1
InChIInChI=1S/C14H14N4O/c1-18-8-10(7-16-18)9-2-3-13-12(4-9)14(19)5-11(6-15)17-13/h2-5,7-8H,6,15H2,1H3,(H,17,19)
InChIKeyODRAPGSREWKVTJ-UHFFFAOYSA-N
XLogP1.39
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-6-(1-methylpyrazol-4-yl)-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-(1-methylpyrazol-4-yl)-1H-quinolin-4-one?
The IUPAC name of 2-(aminomethyl)-6-(1-methylpyrazol-4-yl)-1H-quinolin-4-one (CID 130302194) is 2-(aminomethyl)-6-(1-methylpyrazol-4-yl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(aminomethyl)-6-(1-methylpyrazol-4-yl)-1H-quinolin-4-one?
The canonical SMILES for 2-(aminomethyl)-6-(1-methylpyrazol-4-yl)-1H-quinolin-4-one is Cn1cc(-c2ccc3[nH]c(CN)cc(=O)c3c2)cn1.
What is the InChIKey of 2-(aminomethyl)-6-(1-methylpyrazol-4-yl)-1H-quinolin-4-one?
The InChIKey is ODRAPGSREWKVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-18-8-10(7-16-18)9-2-3-13-12(4-9)14(19)5-11(6-15)17-13/h2-5,7-8H,6,15H2,1H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-6-(1-methylpyrazol-4-yl)-1H-quinolin-4-one?
2-(aminomethyl)-6-(1-methylpyrazol-4-yl)-1H-quinolin-4-one has a molecular weight of 254.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-(1-methylpyrazol-4-yl)-1H-quinolin-4-one is sourced from PubChem (CID 130302194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).