N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclobutanecarboxamide

C16H24N2O2 — CID 110196538

IUPACN-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclobutanecarboxamide
SMILESCN1C(=O)CCC2(CNC(=O)C3CCC3)CCCC=C12
InChIInChI=1S/C16H24N2O2/c1-18-13-7-2-3-9-16(13,10-8-14(18)19)11-17-15(20)12-5-4-6-12/h7,12H,2-6,8-11H2,1H3,(H,17,20)
InChIKeyYKMRPDXIFNTVEX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.21
Rot. Bonds3

About N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclobutanecarboxamide

N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclobutanecarboxamide (PubChem CID 110196538) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclobutanecarboxamide
PubChem CID110196538
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclobutanecarboxamide
SMILESCN1C(=O)CCC2(CNC(=O)C3CCC3)CCCC=C12
InChIInChI=1S/C16H24N2O2/c1-18-13-7-2-3-9-16(13,10-8-14(18)19)11-17-15(20)12-5-4-6-12/h7,12H,2-6,8-11H2,1H3,(H,17,20)
InChIKeyYKMRPDXIFNTVEX-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclobutanecarboxamide with MolForge

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Related Compounds

1-[(2-Oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]-3-propan-2-ylurea
CID 110196521
N-[(2-Oxo-1,3,4,5,6,7-hexahydro-4A(2H)-quinolinyl)methyl]cyclopropanecarboxamide
CID 110196525
N~4A~-{2-[Cyclohexyl(methyl)amino]ethyl}-1-ethyl-2-oxo-1,3,4,5,6,7-hexahydro-4A(2H)-quinolinecarboxamide
CID 91925188
1-Cyclopentyl-N~4A~-ethyl-2-oxo-1,3,4,5,6,7-hexahydro-4A(2H)-quinolinecarboxamide
CID 110203908
2-(1-azepanyl)-N-{[2-oxo-1,3,4,5,6,7-hexahydro-4(2H)-quinolinyl]methyl}acetamide
CID 91909503
3-(3-Ethoxypropyl)-1-[(2-oxo-1,2,3,4,4A,5,6,7-octahydroquinolin-4A-YL)methyl]urea
CID 91909506
3-Cyclopentyl-N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4AH,5H,6H-cyclopenta[B]pyridin-4A-YL]methyl}propanamide
CID 91909546
2-cyclopentyl-N-{[1-methyl-2-oxo-1,3,4,5,6,7-hexahydro-4(2H)-quinolinyl]methyl}acetamide
CID 91920200
1-Ethyl-3-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]urea
CID 110196520
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
N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide
CID 110196527

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclobutanecarboxamide (CID 110196538) is N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclobutanecarboxamide is CN1C(=O)CCC2(CNC(=O)C3CCC3)CCCC=C12.
What is the InChIKey of N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclobutanecarboxamide?
The InChIKey is YKMRPDXIFNTVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18-13-7-2-3-9-16(13,10-8-14(18)19)11-17-15(20)12-5-4-6-12/h7,12H,2-6,8-11H2,1H3,(H,17,20).
What are the key properties of N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclobutanecarboxamide?
N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclobutanecarboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 110196538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).