6-(propan-2-ylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one

C17H24N4O — CID 131656607

IUPAC6-(propan-2-ylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)NC1CCc2c(ccc(=O)n2CCn2cccn2)C1
InChIInChI=1S/C17H24N4O/c1-13(2)19-15-5-6-16-14(12-15)4-7-17(22)21(16)11-10-20-9-3-8-18-20/h3-4,7-9,13,15,19H,5-6,10-12H2,1-2H3
InChIKeyWQPDAYFNYSYRDI-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.60
Rot. Bonds5

About 6-(propan-2-ylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one

6-(propan-2-ylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 131656607) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 6-(propan-2-ylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name6-(propan-2-ylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID131656607
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name6-(propan-2-ylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)NC1CCc2c(ccc(=O)n2CCn2cccn2)C1
InChIInChI=1S/C17H24N4O/c1-13(2)19-15-5-6-16-14(12-15)4-7-17(22)21(16)11-10-20-9-3-8-18-20/h3-4,7-9,13,15,19H,5-6,10-12H2,1-2H3
InChIKeyWQPDAYFNYSYRDI-UHFFFAOYSA-N
XLogP1.60
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(propan-2-ylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 6-(propan-2-ylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 131656607) is 6-(propan-2-ylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 6-(propan-2-ylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 6-(propan-2-ylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one is CC(C)NC1CCc2c(ccc(=O)n2CCn2cccn2)C1.
What is the InChIKey of 6-(propan-2-ylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is WQPDAYFNYSYRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13(2)19-15-5-6-16-14(12-15)4-7-17(22)21(16)11-10-20-9-3-8-18-20/h3-4,7-9,13,15,19H,5-6,10-12H2,1-2H3.
What are the key properties of 6-(propan-2-ylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one?
6-(propan-2-ylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 300.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-ylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 131656607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).