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

C26H38N4O3 — CID 18571871

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide
SMILESCN1CCCc2cc(C(CNC(=O)C(=O)NCCC3=CCCCC3)N3CCOCC3)ccc21
InChIInChI=1S/C26H38N4O3/c1-29-13-5-8-21-18-22(9-10-23(21)29)24(30-14-16-33-17-15-30)19-28-26(32)25(31)27-12-11-20-6-3-2-4-7-20/h6,9-10,18,24H,2-5,7-8,11-17,19H2,1H3,(H,27,31)(H,28,32)
InChIKeyYAUZUEZTQWKGPJ-UHFFFAOYSA-N
MW454.62 g/mol
LogP2.57
Rot. Bonds7

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

N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide (PubChem CID 18571871) has the molecular formula C26H38N4O3 and a molecular weight of 454.62 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide
PubChem CID18571871
Molecular FormulaC26H38N4O3
Molecular Weight454.62 g/mol
Exact Mass454.29
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide
SMILESCN1CCCc2cc(C(CNC(=O)C(=O)NCCC3=CCCCC3)N3CCOCC3)ccc21
InChIInChI=1S/C26H38N4O3/c1-29-13-5-8-21-18-22(9-10-23(21)29)24(30-14-16-33-17-15-30)19-28-26(32)25(31)27-12-11-20-6-3-2-4-7-20/h6,9-10,18,24H,2-5,7-8,11-17,19H2,1H3,(H,27,31)(H,28,32)
InChIKeyYAUZUEZTQWKGPJ-UHFFFAOYSA-N
XLogP2.57
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide (CID 18571871) is N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide is CN1CCCc2cc(C(CNC(=O)C(=O)NCCC3=CCCCC3)N3CCOCC3)ccc21.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide?
The InChIKey is YAUZUEZTQWKGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O3/c1-29-13-5-8-21-18-22(9-10-23(21)29)24(30-14-16-33-17-15-30)19-28-26(32)25(31)27-12-11-20-6-3-2-4-7-20/h6,9-10,18,24H,2-5,7-8,11-17,19H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide has a molecular weight of 454.62 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide is sourced from PubChem (CID 18571871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).