3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide

C21H26N6O3 — CID 91951498

IUPAC3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide
SMILESO=C(CCn1c(=O)c(N2CCOCC2)nc2ccccc21)NCCCn1cccn1
InChIInChI=1S/C21H26N6O3/c28-19(22-8-3-10-26-11-4-9-23-26)7-12-27-18-6-2-1-5-17(18)24-20(21(27)29)25-13-15-30-16-14-25/h1-2,4-6,9,11H,3,7-8,10,12-16H2,(H,22,28)
InChIKeyVYBPHSZCGSDXQS-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.03
Rot. Bonds8

About 3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide

3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide (PubChem CID 91951498) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide
PubChem CID91951498
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide
SMILESO=C(CCn1c(=O)c(N2CCOCC2)nc2ccccc21)NCCCn1cccn1
InChIInChI=1S/C21H26N6O3/c28-19(22-8-3-10-26-11-4-9-23-26)7-12-27-18-6-2-1-5-17(18)24-20(21(27)29)25-13-15-30-16-14-25/h1-2,4-6,9,11H,3,7-8,10,12-16H2,(H,22,28)
InChIKeyVYBPHSZCGSDXQS-UHFFFAOYSA-N
XLogP1.03
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)propanamide
CID 91951590
3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-pyridin-4-ylpropanamide
CID 91951572
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)propanamide
CID 91951530
N-cyclohexyl-3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)propanamide
CID 91951544
N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951424
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)propanamide
CID 91951592
3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 91951503
N-(2-methoxyethyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951418
3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 91951582
3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
CID 46324456
3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 91951223
1-methyl-3-morpholin-4-ylquinoxalin-2-one
CID 146169023

Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide?
The IUPAC name of 3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide (CID 91951498) is 3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide?
The canonical SMILES for 3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide is O=C(CCn1c(=O)c(N2CCOCC2)nc2ccccc21)NCCCn1cccn1.
What is the InChIKey of 3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide?
The InChIKey is VYBPHSZCGSDXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c28-19(22-8-3-10-26-11-4-9-23-26)7-12-27-18-6-2-1-5-17(18)24-20(21(27)29)25-13-15-30-16-14-25/h1-2,4-6,9,11H,3,7-8,10,12-16H2,(H,22,28).
What are the key properties of 3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide?
3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide has a molecular weight of 410.48 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide is sourced from PubChem (CID 91951498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).