3-(3-imidazol-1-ylpropyl)quinolin-2-amine

C15H16N4 — CID 67942243

IUPAC3-(3-imidazol-1-ylpropyl)quinolin-2-amine
SMILESNc1nc2ccccc2cc1CCCn1ccnc1
InChIInChI=1S/C15H16N4/c16-15-13(5-3-8-19-9-7-17-11-19)10-12-4-1-2-6-14(12)18-15/h1-2,4,6-7,9-11H,3,5,8H2,(H2,16,18)
InChIKeyFRJSFGPIGJQGQP-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds4

About 3-(3-imidazol-1-ylpropyl)quinolin-2-amine

3-(3-imidazol-1-ylpropyl)quinolin-2-amine (PubChem CID 67942243) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropyl)quinolin-2-amine.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropyl)quinolin-2-amine
PubChem CID67942243
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3-(3-imidazol-1-ylpropyl)quinolin-2-amine
SMILESNc1nc2ccccc2cc1CCCn1ccnc1
InChIInChI=1S/C15H16N4/c16-15-13(5-3-8-19-9-7-17-11-19)10-12-4-1-2-6-14(12)18-15/h1-2,4,6-7,9-11H,3,5,8H2,(H2,16,18)
InChIKeyFRJSFGPIGJQGQP-UHFFFAOYSA-N
XLogP2.65
TPSA56.73 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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpropyl)quinolin-2-amine?
The IUPAC name of 3-(3-imidazol-1-ylpropyl)quinolin-2-amine (CID 67942243) is 3-(3-imidazol-1-ylpropyl)quinolin-2-amine.
What is the SMILES notation for 3-(3-imidazol-1-ylpropyl)quinolin-2-amine?
The canonical SMILES for 3-(3-imidazol-1-ylpropyl)quinolin-2-amine is Nc1nc2ccccc2cc1CCCn1ccnc1.
What is the InChIKey of 3-(3-imidazol-1-ylpropyl)quinolin-2-amine?
The InChIKey is FRJSFGPIGJQGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c16-15-13(5-3-8-19-9-7-17-11-19)10-12-4-1-2-6-14(12)18-15/h1-2,4,6-7,9-11H,3,5,8H2,(H2,16,18).
What are the key properties of 3-(3-imidazol-1-ylpropyl)quinolin-2-amine?
3-(3-imidazol-1-ylpropyl)quinolin-2-amine has a molecular weight of 252.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpropyl)quinolin-2-amine is sourced from PubChem (CID 67942243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).