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

C14H20N2O2 — CID 110196525

IUPACN-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]cyclopropanecarboxamide
SMILESO=C1CCC2(CNC(=O)C3CC3)CCCC=C2N1
InChIInChI=1S/C14H20N2O2/c17-12-6-8-14(7-2-1-3-11(14)16-12)9-15-13(18)10-4-5-10/h3,10H,1-2,4-9H2,(H,15,18)(H,16,17)
InChIKeyPXQZIGCCQPHICR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.48
Rot. Bonds3

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

N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]cyclopropanecarboxamide (PubChem CID 110196525) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]cyclopropanecarboxamide
PubChem CID110196525
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]cyclopropanecarboxamide
SMILESO=C1CCC2(CNC(=O)C3CC3)CCCC=C2N1
InChIInChI=1S/C14H20N2O2/c17-12-6-8-14(7-2-1-3-11(14)16-12)9-15-13(18)10-4-5-10/h3,10H,1-2,4-9H2,(H,15,18)(H,16,17)
InChIKeyPXQZIGCCQPHICR-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
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]cyclopropanecarboxamide?
The IUPAC name of N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]cyclopropanecarboxamide (CID 110196525) is N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]cyclopropanecarboxamide is O=C1CCC2(CNC(=O)C3CC3)CCCC=C2N1.
What is the InChIKey of N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]cyclopropanecarboxamide?
The InChIKey is PXQZIGCCQPHICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-12-6-8-14(7-2-1-3-11(14)16-12)9-15-13(18)10-4-5-10/h3,10H,1-2,4-9H2,(H,15,18)(H,16,17).
What are the key properties of N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]cyclopropanecarboxamide?
N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]cyclopropanecarboxamide has a molecular weight of 248.33 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]cyclopropanecarboxamide is sourced from PubChem (CID 110196525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).