N-[(4-pyrazol-1-ylquinolin-2-yl)methyl]propan-1-amine

C16H18N4 — CID 63377528

IUPACN-[(4-pyrazol-1-ylquinolin-2-yl)methyl]propan-1-amine
SMILESCCCNCc1cc(-n2cccn2)c2ccccc2n1
InChIInChI=1S/C16H18N4/c1-2-8-17-12-13-11-16(20-10-5-9-18-20)14-6-3-4-7-15(14)19-13/h3-7,9-11,17H,2,8,12H2,1H3
InChIKeyIVFUVZLYBMNZCZ-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.92
Rot. Bonds5

About N-[(4-pyrazol-1-ylquinolin-2-yl)methyl]propan-1-amine

N-[(4-pyrazol-1-ylquinolin-2-yl)methyl]propan-1-amine (PubChem CID 63377528) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[(4-pyrazol-1-ylquinolin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-pyrazol-1-ylquinolin-2-yl)methyl]propan-1-amine
PubChem CID63377528
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-[(4-pyrazol-1-ylquinolin-2-yl)methyl]propan-1-amine
SMILESCCCNCc1cc(-n2cccn2)c2ccccc2n1
InChIInChI=1S/C16H18N4/c1-2-8-17-12-13-11-16(20-10-5-9-18-20)14-6-3-4-7-15(14)19-13/h3-7,9-11,17H,2,8,12H2,1H3
InChIKeyIVFUVZLYBMNZCZ-UHFFFAOYSA-N
XLogP2.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrazol-1-ylquinolin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-pyrazol-1-ylquinolin-2-yl)methyl]propan-1-amine (CID 63377528) is N-[(4-pyrazol-1-ylquinolin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-pyrazol-1-ylquinolin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-pyrazol-1-ylquinolin-2-yl)methyl]propan-1-amine is CCCNCc1cc(-n2cccn2)c2ccccc2n1.
What is the InChIKey of N-[(4-pyrazol-1-ylquinolin-2-yl)methyl]propan-1-amine?
The InChIKey is IVFUVZLYBMNZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-8-17-12-13-11-16(20-10-5-9-18-20)14-6-3-4-7-15(14)19-13/h3-7,9-11,17H,2,8,12H2,1H3.
What are the key properties of N-[(4-pyrazol-1-ylquinolin-2-yl)methyl]propan-1-amine?
N-[(4-pyrazol-1-ylquinolin-2-yl)methyl]propan-1-amine has a molecular weight of 266.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrazol-1-ylquinolin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 63377528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).