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

C15H22N2O2 — CID 110196537

IUPACN-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopropanecarboxamide
SMILESCN1C(=O)CCC2(CNC(=O)C3CC3)CCCC=C12
InChIInChI=1S/C15H22N2O2/c1-17-12-4-2-3-8-15(12,9-7-13(17)18)10-16-14(19)11-5-6-11/h4,11H,2-3,5-10H2,1H3,(H,16,19)
InChIKeyVWGZQCNNZQPSAW-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.82
Rot. Bonds3

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

N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopropanecarboxamide (PubChem CID 110196537) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopropanecarboxamide
PubChem CID110196537
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopropanecarboxamide
SMILESCN1C(=O)CCC2(CNC(=O)C3CC3)CCCC=C12
InChIInChI=1S/C15H22N2O2/c1-17-12-4-2-3-8-15(12,9-7-13(17)18)10-16-14(19)11-5-6-11/h4,11H,2-3,5-10H2,1H3,(H,16,19)
InChIKeyVWGZQCNNZQPSAW-UHFFFAOYSA-N
XLogP1.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopropanecarboxamide 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
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
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-methoxy-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide
CID 110196523
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

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopropanecarboxamide (CID 110196537) is N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopropanecarboxamide is CN1C(=O)CCC2(CNC(=O)C3CC3)CCCC=C12.
What is the InChIKey of N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopropanecarboxamide?
The InChIKey is VWGZQCNNZQPSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17-12-4-2-3-8-15(12,9-7-13(17)18)10-16-14(19)11-5-6-11/h4,11H,2-3,5-10H2,1H3,(H,16,19).
What are the key properties of N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopropanecarboxamide?
N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopropanecarboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.82, 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]cyclopropanecarboxamide is sourced from PubChem (CID 110196537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).