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

C13H20N2O2 — CID 110196532

IUPACN-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide
SMILESCC(=O)NCC12CCCC=C1N(C)C(=O)CC2
InChIInChI=1S/C13H20N2O2/c1-10(16)14-9-13-7-4-3-5-11(13)15(2)12(17)6-8-13/h5H,3-4,6-9H2,1-2H3,(H,14,16)
InChIKeyBXBCGPHGRIPCCD-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.43
Rot. Bonds2

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

N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide (PubChem CID 110196532) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide
PubChem CID110196532
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide
SMILESCC(=O)NCC12CCCC=C1N(C)C(=O)CC2
InChIInChI=1S/C13H20N2O2/c1-10(16)14-9-13-7-4-3-5-11(13)15(2)12(17)6-8-13/h5H,3-4,6-9H2,1-2H3,(H,14,16)
InChIKeyBXBCGPHGRIPCCD-UHFFFAOYSA-N
XLogP1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
1-ethyl-4a-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one
CID 53015308
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
1-Cyclopentyl-N-[2-(4-ethylpiperazin-1-YL)ethyl]-2-oxo-1,2,3,4,4A,5,6,7-octahydroquinoline-4A-carboxamide
CID 91912792
1-(2-Methoxyethyl)-2-oxo-N~4A~-[3-(1-pyrrolidinyl)propyl]-1,3,4,5,6,7-hexahydro-4A(2H)-quinolinecarboxamide
CID 91912795
2-cyclopentyl-N-{[1-methyl-2-oxo-1,3,4,5,6,7-hexahydro-4(2H)-quinolinyl]methyl}acetamide
CID 91920200
1-cyclopentyl-2-oxo-N-(2-piperidinoethyl)-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide
CID 91925193

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide?
The IUPAC name of N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide (CID 110196532) is N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide?
The canonical SMILES for N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide is CC(=O)NCC12CCCC=C1N(C)C(=O)CC2.
What is the InChIKey of N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide?
The InChIKey is BXBCGPHGRIPCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(16)14-9-13-7-4-3-5-11(13)15(2)12(17)6-8-13/h5H,3-4,6-9H2,1-2H3,(H,14,16).
What are the key properties of N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide?
N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.43, 2 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]acetamide is sourced from PubChem (CID 110196532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).