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

C16H24N2O3 — CID 110196530

IUPACN-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]oxane-4-carboxamide
SMILESO=C1CCC2(CNC(=O)C3CCOCC3)CCCC=C2N1
InChIInChI=1S/C16H24N2O3/c19-14-4-8-16(7-2-1-3-13(16)18-14)11-17-15(20)12-5-9-21-10-6-12/h3,12H,1-2,4-11H2,(H,17,20)(H,18,19)
InChIKeyAIUOTYPHOWHYRV-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.49
Rot. Bonds3

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

N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]oxane-4-carboxamide (PubChem CID 110196530) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]oxane-4-carboxamide
PubChem CID110196530
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]oxane-4-carboxamide
SMILESO=C1CCC2(CNC(=O)C3CCOCC3)CCCC=C2N1
InChIInChI=1S/C16H24N2O3/c19-14-4-8-16(7-2-1-3-13(16)18-14)11-17-15(20)12-5-9-21-10-6-12/h3,12H,1-2,4-11H2,(H,17,20)(H,18,19)
InChIKeyAIUOTYPHOWHYRV-UHFFFAOYSA-N
XLogP1.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-Oxo-1,3,4,5,6,7-hexahydro-4A(2H)-quinolinyl)methyl]cyclopropanecarboxamide
CID 110196525
3-(3-Ethoxypropyl)-1-[(2-oxo-1,2,3,4,4A,5,6,7-octahydroquinolin-4A-YL)methyl]urea
CID 91909506
N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}tetrahydro-2H-pyran-4-carboxamide
CID 91920222
2-methyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide
CID 110196524
N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]cyclobutanecarboxamide
CID 110196526
2-Methyl-N-[(1-methyl-2-oxo-1,2,3,4,4A,5,6,7-octahydroquinolin-4A-YL)methyl]propanamide
CID 110196536
N~4~-[(1-Methyl-2-oxo-1,2,3,4,5,6-hexahydro-4AH-cyclopenta[B]pyridin-4-YL)methyl]tetrahydro-2H-pyran-4-carboxamide
CID 110196570
N-{[1-(Cyclopropylmethyl)-2-oxo-1,2,3,4,4A,5,6,7-octahydroquinolin-4A-YL]methyl}oxane-4-carboxamide
CID 124073413
N-[[(4aS)-2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl]methyl]-3-methoxypropanamide
CID 164629492
N~1~-{[1-(2-Methoxyethyl)-2-oxo-1,3,4,5,6,7-hexahydro-4(2H)-quinolinyl]methyl}-3-methylbutanamide
CID 91920208
3-Methyl-N-[(1-methyl-2-oxo-1,2,3,4,4A,5,6,7-octahydroquinolin-4A-YL)methyl]butanamide
CID 124043351
1-ethyl-N-(3-methoxypropyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
CID 124054540

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]oxane-4-carboxamide?
The IUPAC name of N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]oxane-4-carboxamide (CID 110196530) is N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]oxane-4-carboxamide is O=C1CCC2(CNC(=O)C3CCOCC3)CCCC=C2N1.
What is the InChIKey of N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]oxane-4-carboxamide?
The InChIKey is AIUOTYPHOWHYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-14-4-8-16(7-2-1-3-13(16)18-14)11-17-15(20)12-5-9-21-10-6-12/h3,12H,1-2,4-11H2,(H,17,20)(H,18,19).
What are the key properties of N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]oxane-4-carboxamide?
N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]oxane-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 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]oxane-4-carboxamide is sourced from PubChem (CID 110196530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).