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

C17H26N2O2 — CID 110196539

IUPACN-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopentanecarboxamide
SMILESCN1C(=O)CCC2(CNC(=O)C3CCCC3)CCCC=C12
InChIInChI=1S/C17H26N2O2/c1-19-14-8-4-5-10-17(14,11-9-15(19)20)12-18-16(21)13-6-2-3-7-13/h8,13H,2-7,9-12H2,1H3,(H,18,21)
InChIKeyMSWVZWOQJUZIPT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.60
Rot. Bonds3

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

N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopentanecarboxamide (PubChem CID 110196539) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopentanecarboxamide
PubChem CID110196539
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopentanecarboxamide
SMILESCN1C(=O)CCC2(CNC(=O)C3CCCC3)CCCC=C12
InChIInChI=1S/C17H26N2O2/c1-19-14-8-4-5-10-17(14,11-9-15(19)20)12-18-16(21)13-6-2-3-7-13/h8,13H,2-7,9-12H2,1H3,(H,18,21)
InChIKeyMSWVZWOQJUZIPT-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-[[(4aS)-1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-4-fluorobenzamide
CID 164639662
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
N-cyclopentyl-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
CID 110203901
N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide
CID 119404597
N-[(1-aminocyclohexyl)methyl]cyclooctanecarboxamide
CID 119404631
N-(cyclohexen-1-ylmethyl)cyclopentanecarboxamide
CID 100542242
N-[(1-methylcyclopropyl)methyl]cyclobutanecarboxamide
CID 127018359
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide
CID 71796620
N-[(1-aminocyclopentyl)methyl]cyclobutanecarboxamide
CID 164661339
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296
ethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide
CID 90789963

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopentanecarboxamide (CID 110196539) is N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopentanecarboxamide is CN1C(=O)CCC2(CNC(=O)C3CCCC3)CCCC=C12.
What is the InChIKey of N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopentanecarboxamide?
The InChIKey is MSWVZWOQJUZIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19-14-8-4-5-10-17(14,11-9-15(19)20)12-18-16(21)13-6-2-3-7-13/h8,13H,2-7,9-12H2,1H3,(H,18,21).
What are the key properties of N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopentanecarboxamide?
N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopentanecarboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.60, 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]cyclopentanecarboxamide is sourced from PubChem (CID 110196539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).