N-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]propan-1-amine

C17H20N4 — CID 62222860

IUPACN-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1Cc1ccc2ccccc2n1
InChIInChI=1S/C17H20N4/c1-2-9-18-12-17-19-10-11-21(17)13-15-8-7-14-5-3-4-6-16(14)20-15/h3-8,10-11,18H,2,9,12-13H2,1H3
InChIKeyZLSAQGNPDHOVNR-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.98
Rot. Bonds6

About N-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]propan-1-amine

N-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]propan-1-amine (PubChem CID 62222860) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]propan-1-amine
PubChem CID62222860
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1Cc1ccc2ccccc2n1
InChIInChI=1S/C17H20N4/c1-2-9-18-12-17-19-10-11-21(17)13-15-8-7-14-5-3-4-6-16(14)20-15/h3-8,10-11,18H,2,9,12-13H2,1H3
InChIKeyZLSAQGNPDHOVNR-UHFFFAOYSA-N
XLogP2.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.98
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-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]propan-1-amine (CID 62222860) is N-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]propan-1-amine is CCCNCc1nccn1Cc1ccc2ccccc2n1.
What is the InChIKey of N-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]propan-1-amine?
The InChIKey is ZLSAQGNPDHOVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-9-18-12-17-19-10-11-21(17)13-15-8-7-14-5-3-4-6-16(14)20-15/h3-8,10-11,18H,2,9,12-13H2,1H3.
What are the key properties of N-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]propan-1-amine?
N-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]propan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62222860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).