3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide

C26H32N4O3 — CID 91951503

IUPAC3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
SMILESCC(C)c1ccc(C(C)NC(=O)CCn2c(=O)c(N3CCOCC3)nc3ccccc32)cc1
InChIInChI=1S/C26H32N4O3/c1-18(2)20-8-10-21(11-9-20)19(3)27-24(31)12-13-30-23-7-5-4-6-22(23)28-25(26(30)32)29-14-16-33-17-15-29/h4-11,18-19H,12-17H2,1-3H3,(H,27,31)
InChIKeyKCSSVMYRTKYEAR-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.62
Rot. Bonds7

About 3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide

3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide (PubChem CID 91951503) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
PubChem CID91951503
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
SMILESCC(C)c1ccc(C(C)NC(=O)CCn2c(=O)c(N3CCOCC3)nc3ccccc32)cc1
InChIInChI=1S/C26H32N4O3/c1-18(2)20-8-10-21(11-9-20)19(3)27-24(31)12-13-30-23-7-5-4-6-22(23)28-25(26(30)32)29-14-16-33-17-15-29/h4-11,18-19H,12-17H2,1-3H3,(H,27,31)
InChIKeyKCSSVMYRTKYEAR-UHFFFAOYSA-N
XLogP3.62
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 91951168
N-ethyl-3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)propanamide
CID 91951590
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-pyridin-4-ylpropanamide
CID 91951572
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 91951480
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
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 46448670
3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide
CID 91951498
3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 91951582
1-methyl-3-morpholin-4-ylquinoxalin-2-one
CID 146169023
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 91951375

Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide?
The IUPAC name of 3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide (CID 91951503) is 3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide is CC(C)c1ccc(C(C)NC(=O)CCn2c(=O)c(N3CCOCC3)nc3ccccc32)cc1.
What is the InChIKey of 3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide?
The InChIKey is KCSSVMYRTKYEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-18(2)20-8-10-21(11-9-20)19(3)27-24(31)12-13-30-23-7-5-4-6-22(23)28-25(26(30)32)29-14-16-33-17-15-29/h4-11,18-19H,12-17H2,1-3H3,(H,27,31).
What are the key properties of 3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide?
3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide has a molecular weight of 448.57 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 91951503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).