N-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]propanamide

C14H20N2O2 — CID 122188224

IUPACN-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]propanamide
SMILESCCC(=O)NCC1CCc2c(cccc2OC)N1
InChIInChI=1S/C14H20N2O2/c1-3-14(17)15-9-10-7-8-11-12(16-10)5-4-6-13(11)18-2/h4-6,10,16H,3,7-9H2,1-2H3,(H,15,17)
InChIKeyQGXRPLHELMEDTK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.95
Rot. Bonds4

About N-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]propanamide

N-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]propanamide (PubChem CID 122188224) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]propanamide
PubChem CID122188224
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]propanamide
SMILESCCC(=O)NCC1CCc2c(cccc2OC)N1
InChIInChI=1S/C14H20N2O2/c1-3-14(17)15-9-10-7-8-11-12(16-10)5-4-6-13(11)18-2/h4-6,10,16H,3,7-9H2,1-2H3,(H,15,17)
InChIKeyQGXRPLHELMEDTK-UHFFFAOYSA-N
XLogP1.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]propanamide?
The IUPAC name of N-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]propanamide (CID 122188224) is N-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]propanamide?
The canonical SMILES for N-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]propanamide is CCC(=O)NCC1CCc2c(cccc2OC)N1.
What is the InChIKey of N-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]propanamide?
The InChIKey is QGXRPLHELMEDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-14(17)15-9-10-7-8-11-12(16-10)5-4-6-13(11)18-2/h4-6,10,16H,3,7-9H2,1-2H3,(H,15,17).
What are the key properties of N-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]propanamide?
N-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]propanamide is sourced from PubChem (CID 122188224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).