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

C15H24N2O2 — CID 110196536

IUPAC2-methyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]propanamide
SMILESCC(C)C(=O)NCC12CCCC=C1N(C)C(=O)CC2
InChIInChI=1S/C15H24N2O2/c1-11(2)14(19)16-10-15-8-5-4-6-12(15)17(3)13(18)7-9-15/h6,11H,4-5,7-10H2,1-3H3,(H,16,19)
InChIKeyLAMLYIAOWCRKLB-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.07
Rot. Bonds3

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

2-methyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]propanamide (PubChem CID 110196536) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]propanamide
PubChem CID110196536
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-methyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]propanamide
SMILESCC(C)C(=O)NCC12CCCC=C1N(C)C(=O)CC2
InChIInChI=1S/C15H24N2O2/c1-11(2)14(19)16-10-15-8-5-4-6-12(15)17(3)13(18)7-9-15/h6,11H,4-5,7-10H2,1-3H3,(H,16,19)
InChIKeyLAMLYIAOWCRKLB-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]propanamide (CID 110196536) is 2-methyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]propanamide is CC(C)C(=O)NCC12CCCC=C1N(C)C(=O)CC2.
What is the InChIKey of 2-methyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]propanamide?
The InChIKey is LAMLYIAOWCRKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)14(19)16-10-15-8-5-4-6-12(15)17(3)13(18)7-9-15/h6,11H,4-5,7-10H2,1-3H3,(H,16,19).
What are the key properties of 2-methyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]propanamide?
2-methyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]propanamide is sourced from PubChem (CID 110196536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).