2-methyl-N-(2-pyrazol-1-ylethyl)quinolin-4-amine

C15H16N4 — CID 61463009

IUPAC2-methyl-N-(2-pyrazol-1-ylethyl)quinolin-4-amine
SMILESCc1cc(NCCn2cccn2)c2ccccc2n1
InChIInChI=1S/C15H16N4/c1-12-11-15(13-5-2-3-6-14(13)18-12)16-8-10-19-9-4-7-17-19/h2-7,9,11H,8,10H2,1H3,(H,16,18)
InChIKeyWXCOYHFMUSQPND-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.85
Rot. Bonds4

About 2-methyl-N-(2-pyrazol-1-ylethyl)quinolin-4-amine

2-methyl-N-(2-pyrazol-1-ylethyl)quinolin-4-amine (PubChem CID 61463009) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-methyl-N-(2-pyrazol-1-ylethyl)quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-pyrazol-1-ylethyl)quinolin-4-amine
PubChem CID61463009
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-methyl-N-(2-pyrazol-1-ylethyl)quinolin-4-amine
SMILESCc1cc(NCCn2cccn2)c2ccccc2n1
InChIInChI=1S/C15H16N4/c1-12-11-15(13-5-2-3-6-14(13)18-12)16-8-10-19-9-4-7-17-19/h2-7,9,11H,8,10H2,1H3,(H,16,18)
InChIKeyWXCOYHFMUSQPND-UHFFFAOYSA-N
XLogP2.85
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyrazol-1-ylethyl)quinolin-4-amine?
The IUPAC name of 2-methyl-N-(2-pyrazol-1-ylethyl)quinolin-4-amine (CID 61463009) is 2-methyl-N-(2-pyrazol-1-ylethyl)quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-pyrazol-1-ylethyl)quinolin-4-amine?
The canonical SMILES for 2-methyl-N-(2-pyrazol-1-ylethyl)quinolin-4-amine is Cc1cc(NCCn2cccn2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-(2-pyrazol-1-ylethyl)quinolin-4-amine?
The InChIKey is WXCOYHFMUSQPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-12-11-15(13-5-2-3-6-14(13)18-12)16-8-10-19-9-4-7-17-19/h2-7,9,11H,8,10H2,1H3,(H,16,18).
What are the key properties of 2-methyl-N-(2-pyrazol-1-ylethyl)quinolin-4-amine?
2-methyl-N-(2-pyrazol-1-ylethyl)quinolin-4-amine has a molecular weight of 252.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyrazol-1-ylethyl)quinolin-4-amine is sourced from PubChem (CID 61463009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).