N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-2-methoxyacetamide

C15H20N2O3 — CID 71941240

IUPACN-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-20-11-14(18)16-9-8-15(19)17-10-4-6-12-5-2-3-7-13(12)17/h2-3,5,7H,4,6,8-11H2,1H3,(H,16,18)
InChIKeySODNZGCOOOPHHL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.12
Rot. Bonds5

About N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-2-methoxyacetamide

N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-2-methoxyacetamide (PubChem CID 71941240) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-2-methoxyacetamide
PubChem CID71941240
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-20-11-14(18)16-9-8-15(19)17-10-4-6-12-5-2-3-7-13(12)17/h2-3,5,7H,4,6,8-11H2,1H3,(H,16,18)
InChIKeySODNZGCOOOPHHL-UHFFFAOYSA-N
XLogP1.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-2-methoxyacetamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-2-methoxyacetamide (CID 71941240) is N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-2-methoxyacetamide is COCC(=O)NCCC(=O)N1CCCc2ccccc21.
What is the InChIKey of N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-2-methoxyacetamide?
The InChIKey is SODNZGCOOOPHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-11-14(18)16-9-8-15(19)17-10-4-6-12-5-2-3-7-13(12)17/h2-3,5,7H,4,6,8-11H2,1H3,(H,16,18).
What are the key properties of N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-2-methoxyacetamide?
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-2-methoxyacetamide has a molecular weight of 276.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-2-methoxyacetamide is sourced from PubChem (CID 71941240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).