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

C18H27N3O3 — CID 16837511

IUPACN-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methoxyethyl)oxamide
SMILESCCN1CCCc2cc(CCNC(=O)C(=O)NCCOC)ccc21
InChIInChI=1S/C18H27N3O3/c1-3-21-11-4-5-15-13-14(6-7-16(15)21)8-9-19-17(22)18(23)20-10-12-24-2/h6-7,13H,3-5,8-12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyNUBIHXJXLQZYPX-UHFFFAOYSA-N
MW333.43 g/mol
LogP0.88
Rot. Bonds7

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

N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methoxyethyl)oxamide (PubChem CID 16837511) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methoxyethyl)oxamide
PubChem CID16837511
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methoxyethyl)oxamide
SMILESCCN1CCCc2cc(CCNC(=O)C(=O)NCCOC)ccc21
InChIInChI=1S/C18H27N3O3/c1-3-21-11-4-5-15-13-14(6-7-16(15)21)8-9-19-17(22)18(23)20-10-12-24-2/h6-7,13H,3-5,8-12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyNUBIHXJXLQZYPX-UHFFFAOYSA-N
XLogP0.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methoxyethyl)oxamide?
The IUPAC name of N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methoxyethyl)oxamide (CID 16837511) is N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methoxyethyl)oxamide.
What is the SMILES notation for N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methoxyethyl)oxamide?
The canonical SMILES for N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methoxyethyl)oxamide is CCN1CCCc2cc(CCNC(=O)C(=O)NCCOC)ccc21.
What is the InChIKey of N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methoxyethyl)oxamide?
The InChIKey is NUBIHXJXLQZYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-21-11-4-5-15-13-14(6-7-16(15)21)8-9-19-17(22)18(23)20-10-12-24-2/h6-7,13H,3-5,8-12H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methoxyethyl)oxamide?
N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methoxyethyl)oxamide has a molecular weight of 333.43 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 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-methoxyethyl)oxamide is sourced from PubChem (CID 16837511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).