N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide

C13H20N2O2 — CID 110196527

IUPACN-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide
SMILESCCC(=O)NCC12CCCC=C1NC(=O)CC2
InChIInChI=1S/C13H20N2O2/c1-2-11(16)14-9-13-7-4-3-5-10(13)15-12(17)6-8-13/h5H,2-4,6-9H2,1H3,(H,14,16)(H,15,17)
InChIKeyQIQQPAZKHZFUMJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.48
Rot. Bonds3

About N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide

N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide (PubChem CID 110196527) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide
PubChem CID110196527
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide
SMILESCCC(=O)NCC12CCCC=C1NC(=O)CC2
InChIInChI=1S/C13H20N2O2/c1-2-11(16)14-9-13-7-4-3-5-10(13)15-12(17)6-8-13/h5H,2-4,6-9H2,1H3,(H,14,16)(H,15,17)
InChIKeyQIQQPAZKHZFUMJ-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide?
The IUPAC name of N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide (CID 110196527) is N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide.
What is the SMILES notation for N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide?
The canonical SMILES for N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide is CCC(=O)NCC12CCCC=C1NC(=O)CC2.
What is the InChIKey of N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide?
The InChIKey is QIQQPAZKHZFUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-11(16)14-9-13-7-4-3-5-10(13)15-12(17)6-8-13/h5H,2-4,6-9H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide?
N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide is sourced from PubChem (CID 110196527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).