N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide

C21H32N4O3 — CID 16837519

IUPACN-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
SMILESCCN1CCCc2cc(CCNC(=O)C(=O)NCCN3CCOCC3)ccc21
InChIInChI=1S/C21H32N4O3/c1-2-25-10-3-4-18-16-17(5-6-19(18)25)7-8-22-20(26)21(27)23-9-11-24-12-14-28-15-13-24/h5-6,16H,2-4,7-15H2,1H3,(H,22,26)(H,23,27)
InChIKeyNWMZKARQYQDGJP-UHFFFAOYSA-N
MW388.51 g/mol
LogP0.57
Rot. Bonds7

About N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide

N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide (PubChem CID 16837519) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
PubChem CID16837519
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
SMILESCCN1CCCc2cc(CCNC(=O)C(=O)NCCN3CCOCC3)ccc21
InChIInChI=1S/C21H32N4O3/c1-2-25-10-3-4-18-16-17(5-6-19(18)25)7-8-22-20(26)21(27)23-9-11-24-12-14-28-15-13-24/h5-6,16H,2-4,7-15H2,1H3,(H,22,26)(H,23,27)
InChIKeyNWMZKARQYQDGJP-UHFFFAOYSA-N
XLogP0.57
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide (CID 16837519) is N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide is CCN1CCCc2cc(CCNC(=O)C(=O)NCCN3CCOCC3)ccc21.
What is the InChIKey of N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is NWMZKARQYQDGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-2-25-10-3-4-18-16-17(5-6-19(18)25)7-8-22-20(26)21(27)23-9-11-24-12-14-28-15-13-24/h5-6,16H,2-4,7-15H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide?
N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 388.51 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 16837519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).