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

C21H30N4O3 — CID 18571857

IUPACN'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCC(c1ccc2c(c1)CCCN2C)N1CCOCC1
InChIInChI=1S/C21H30N4O3/c1-3-8-22-20(26)21(27)23-15-19(25-10-12-28-13-11-25)17-6-7-18-16(14-17)5-4-9-24(18)2/h3,6-7,14,19H,1,4-5,8-13,15H2,2H3,(H,22,26)(H,23,27)
InChIKeyARVSSAYDXHEWDM-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.86
Rot. Bonds6

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

N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide (PubChem CID 18571857) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide
PubChem CID18571857
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCC(c1ccc2c(c1)CCCN2C)N1CCOCC1
InChIInChI=1S/C21H30N4O3/c1-3-8-22-20(26)21(27)23-15-19(25-10-12-28-13-11-25)17-6-7-18-16(14-17)5-4-9-24(18)2/h3,6-7,14,19H,1,4-5,8-13,15H2,2H3,(H,22,26)(H,23,27)
InChIKeyARVSSAYDXHEWDM-UHFFFAOYSA-N
XLogP0.86
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.86
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'}

Analyze N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide?
The IUPAC name of N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide (CID 18571857) is N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCC(c1ccc2c(c1)CCCN2C)N1CCOCC1.
What is the InChIKey of N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide?
The InChIKey is ARVSSAYDXHEWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-3-8-22-20(26)21(27)23-15-19(25-10-12-28-13-11-25)17-6-7-18-16(14-17)5-4-9-24(18)2/h3,6-7,14,19H,1,4-5,8-13,15H2,2H3,(H,22,26)(H,23,27).
What are the key properties of N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide?
N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide has a molecular weight of 386.50 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide is sourced from PubChem (CID 18571857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).