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

C18H28N2O2 — CID 91920200

IUPAC2-cyclopentyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide
SMILESCN1C(=O)CCC2(CNC(=O)CC3CCCC3)CCCC=C12
InChIInChI=1S/C18H28N2O2/c1-20-15-8-4-5-10-18(15,11-9-17(20)22)13-19-16(21)12-14-6-2-3-7-14/h8,14H,2-7,9-13H2,1H3,(H,19,21)
InChIKeyDJYOWWJPSZPCKA-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.99
Rot. Bonds4

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

2-cyclopentyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide (PubChem CID 91920200) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide
PubChem CID91920200
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-cyclopentyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide
SMILESCN1C(=O)CCC2(CNC(=O)CC3CCCC3)CCCC=C12
InChIInChI=1S/C18H28N2O2/c1-20-15-8-4-5-10-18(15,11-9-17(20)22)13-19-16(21)12-14-6-2-3-7-14/h8,14H,2-7,9-13H2,1H3,(H,19,21)
InChIKeyDJYOWWJPSZPCKA-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopentyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide 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
N~1~-{[1-(Cyclopropylmethyl)-2-oxo-1,2,3,4,5,6-hexahydro-4AH-cyclopenta[B]pyridin-4-YL]methyl}-3-methoxypropanamide
CID 91909542
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
1-cyclopentyl-2-oxo-N-(2-piperidinoethyl)-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide
CID 91925193
1-Cyclopentyl-N~4A~-[3-(4-methylpiperazino)propyl]-2-oxo-1,3,4,5,6,7-hexahydro-4A(2H)-quinolinecarboxamide
CID 91925194

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide (CID 91920200) is 2-cyclopentyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide is CN1C(=O)CCC2(CNC(=O)CC3CCCC3)CCCC=C12.
What is the InChIKey of 2-cyclopentyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide?
The InChIKey is DJYOWWJPSZPCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-20-15-8-4-5-10-18(15,11-9-17(20)22)13-19-16(21)12-14-6-2-3-7-14/h8,14H,2-7,9-13H2,1H3,(H,19,21).
What are the key properties of 2-cyclopentyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide?
2-cyclopentyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide is sourced from PubChem (CID 91920200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).