3-(2-aminoquinolin-3-yl)-N-(oxolan-3-ylmethyl)propanamide

C17H21N3O2 — CID 155539177

IUPAC3-(2-aminoquinolin-3-yl)-N-(oxolan-3-ylmethyl)propanamide
SMILESNc1nc2ccccc2cc1CCC(=O)NCC1CCOC1
InChIInChI=1S/C17H21N3O2/c18-17-14(9-13-3-1-2-4-15(13)20-17)5-6-16(21)19-10-12-7-8-22-11-12/h1-4,9,12H,5-8,10-11H2,(H2,18,20)(H,19,21)
InChIKeyPSUJQFGPCBESGC-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.90
Rot. Bonds5

About 3-(2-aminoquinolin-3-yl)-N-(oxolan-3-ylmethyl)propanamide

3-(2-aminoquinolin-3-yl)-N-(oxolan-3-ylmethyl)propanamide (PubChem CID 155539177) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(2-aminoquinolin-3-yl)-N-(oxolan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-aminoquinolin-3-yl)-N-(oxolan-3-ylmethyl)propanamide
PubChem CID155539177
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-(2-aminoquinolin-3-yl)-N-(oxolan-3-ylmethyl)propanamide
SMILESNc1nc2ccccc2cc1CCC(=O)NCC1CCOC1
InChIInChI=1S/C17H21N3O2/c18-17-14(9-13-3-1-2-4-15(13)20-17)5-6-16(21)19-10-12-7-8-22-11-12/h1-4,9,12H,5-8,10-11H2,(H2,18,20)(H,19,21)
InChIKeyPSUJQFGPCBESGC-UHFFFAOYSA-N
XLogP1.90
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinolin-3-yl)-N-(oxolan-3-ylmethyl)propanamide?
The IUPAC name of 3-(2-aminoquinolin-3-yl)-N-(oxolan-3-ylmethyl)propanamide (CID 155539177) is 3-(2-aminoquinolin-3-yl)-N-(oxolan-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-aminoquinolin-3-yl)-N-(oxolan-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2-aminoquinolin-3-yl)-N-(oxolan-3-ylmethyl)propanamide is Nc1nc2ccccc2cc1CCC(=O)NCC1CCOC1.
What is the InChIKey of 3-(2-aminoquinolin-3-yl)-N-(oxolan-3-ylmethyl)propanamide?
The InChIKey is PSUJQFGPCBESGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c18-17-14(9-13-3-1-2-4-15(13)20-17)5-6-16(21)19-10-12-7-8-22-11-12/h1-4,9,12H,5-8,10-11H2,(H2,18,20)(H,19,21).
What are the key properties of 3-(2-aminoquinolin-3-yl)-N-(oxolan-3-ylmethyl)propanamide?
3-(2-aminoquinolin-3-yl)-N-(oxolan-3-ylmethyl)propanamide has a molecular weight of 299.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinolin-3-yl)-N-(oxolan-3-ylmethyl)propanamide is sourced from PubChem (CID 155539177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).