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

C18H30N2O3 — CID 91920208

IUPACN-[[1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-3-methylbutanamide
SMILESCOCCN1C(=O)CCC2(CNC(=O)CC(C)C)CCCC=C12
InChIInChI=1S/C18H30N2O3/c1-14(2)12-16(21)19-13-18-8-5-4-6-15(18)20(10-11-23-3)17(22)7-9-18/h6,14H,4-5,7-13H2,1-3H3,(H,19,21)
InChIKeyAFTINKHSHSBNIT-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.47
Rot. Bonds7

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

N-[[1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-3-methylbutanamide (PubChem CID 91920208) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-3-methylbutanamide
PubChem CID91920208
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC NameN-[[1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-3-methylbutanamide
SMILESCOCCN1C(=O)CCC2(CNC(=O)CC(C)C)CCCC=C12
InChIInChI=1S/C18H30N2O3/c1-14(2)12-16(21)19-13-18-8-5-4-6-15(18)20(10-11-23-3)17(22)7-9-18/h6,14H,4-5,7-13H2,1-3H3,(H,19,21)
InChIKeyAFTINKHSHSBNIT-UHFFFAOYSA-N
XLogP2.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[(2-Oxo-1,3,4,5,6,7-hexahydro-4A(2H)-quinolinyl)methyl]cyclopropanecarboxamide
CID 110196525
1-Cyclopentyl-N~4A~-ethyl-2-oxo-1,3,4,5,6,7-hexahydro-4A(2H)-quinolinecarboxamide
CID 110203908
3-(3-Ethoxypropyl)-1-[(2-oxo-1,2,3,4,4A,5,6,7-octahydroquinolin-4A-YL)methyl]urea
CID 91909506
2-(2-methoxyethoxy)-N-{[2-oxo-1,3,4,5,6,7-hexahydro-4(2H)-quinolinyl]methyl}acetamide
CID 91909508
N~1~-{[1-(Cyclopropylmethyl)-2-oxo-1,2,3,4,5,6-hexahydro-4AH-cyclopenta[B]pyridin-4-YL]methyl}-3-methoxypropanamide
CID 91909542
1-(2-Methoxyethyl)-2-oxo-N~4A~-[3-(1-pyrrolidinyl)propyl]-1,3,4,5,6,7-hexahydro-4A(2H)-quinolinecarboxamide
CID 91912795
N-{2-[cyclohexyl(methyl)amino]ethyl}-1-(2-methoxyethyl)-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide
CID 91912796
2-cyclopentyl-N-{[1-methyl-2-oxo-1,3,4,5,6,7-hexahydro-4(2H)-quinolinyl]methyl}acetamide
CID 91920200
1-ethyl-N-[2-(4-morpholinyl)ethyl]-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide
CID 91925181
1-Cyclopentyl-N-[2-(4-morpholinyl)ethyl]-2-oxo-1,3,4,5,6,7-hexahydro-4A(2H)-quinolinecarboxamide
CID 91925190
1-Ethyl-3-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]urea
CID 110196520
2-methoxy-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide
CID 110196523

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-3-methylbutanamide?
The IUPAC name of N-[[1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-3-methylbutanamide (CID 91920208) is N-[[1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-3-methylbutanamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-3-methylbutanamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-3-methylbutanamide is COCCN1C(=O)CCC2(CNC(=O)CC(C)C)CCCC=C12.
What is the InChIKey of N-[[1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-3-methylbutanamide?
The InChIKey is AFTINKHSHSBNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-14(2)12-16(21)19-13-18-8-5-4-6-15(18)20(10-11-23-3)17(22)7-9-18/h6,14H,4-5,7-13H2,1-3H3,(H,19,21).
What are the key properties of N-[[1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-3-methylbutanamide?
N-[[1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-3-methylbutanamide has a molecular weight of 322.45 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-3-methylbutanamide is sourced from PubChem (CID 91920208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).