2-[2-(1-methylpyrazol-3-yl)ethylamino]quinoline-4-carbonitrile

C16H15N5 — CID 104626534

IUPAC2-[2-(1-methylpyrazol-3-yl)ethylamino]quinoline-4-carbonitrile
SMILESCn1ccc(CCNc2cc(C#N)c3ccccc3n2)n1
InChIInChI=1S/C16H15N5/c1-21-9-7-13(20-21)6-8-18-16-10-12(11-17)14-4-2-3-5-15(14)19-16/h2-5,7,9-10H,6,8H2,1H3,(H,18,19)
InChIKeyDMACAAOZXJTGNK-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.49
Rot. Bonds4

About 2-[2-(1-methylpyrazol-3-yl)ethylamino]quinoline-4-carbonitrile

2-[2-(1-methylpyrazol-3-yl)ethylamino]quinoline-4-carbonitrile (PubChem CID 104626534) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[2-(1-methylpyrazol-3-yl)ethylamino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(1-methylpyrazol-3-yl)ethylamino]quinoline-4-carbonitrile
PubChem CID104626534
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name2-[2-(1-methylpyrazol-3-yl)ethylamino]quinoline-4-carbonitrile
SMILESCn1ccc(CCNc2cc(C#N)c3ccccc3n2)n1
InChIInChI=1S/C16H15N5/c1-21-9-7-13(20-21)6-8-18-16-10-12(11-17)14-4-2-3-5-15(14)19-16/h2-5,7,9-10H,6,8H2,1H3,(H,18,19)
InChIKeyDMACAAOZXJTGNK-UHFFFAOYSA-N
XLogP2.49
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrazol-3-yl)ethylamino]quinoline-4-carbonitrile?
The IUPAC name of 2-[2-(1-methylpyrazol-3-yl)ethylamino]quinoline-4-carbonitrile (CID 104626534) is 2-[2-(1-methylpyrazol-3-yl)ethylamino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[2-(1-methylpyrazol-3-yl)ethylamino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[2-(1-methylpyrazol-3-yl)ethylamino]quinoline-4-carbonitrile is Cn1ccc(CCNc2cc(C#N)c3ccccc3n2)n1.
What is the InChIKey of 2-[2-(1-methylpyrazol-3-yl)ethylamino]quinoline-4-carbonitrile?
The InChIKey is DMACAAOZXJTGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-21-9-7-13(20-21)6-8-18-16-10-12(11-17)14-4-2-3-5-15(14)19-16/h2-5,7,9-10H,6,8H2,1H3,(H,18,19).
What are the key properties of 2-[2-(1-methylpyrazol-3-yl)ethylamino]quinoline-4-carbonitrile?
2-[2-(1-methylpyrazol-3-yl)ethylamino]quinoline-4-carbonitrile has a molecular weight of 277.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrazol-3-yl)ethylamino]quinoline-4-carbonitrile is sourced from PubChem (CID 104626534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).